CID 9588821

3-pyridinecarboxaldehyde, 1,2,5,6-tetrahydro-1-(((butylamino)carbonyl)oxy)-, 3-(o-methyloxime), (e)-

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CCCCNC(=O)ON1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C12H21N3O3/c1-3-4-7-13-12(16)18-15-8-5-6-11(10-15)9-14-17-2/h6,9H,3-5,7-8,10H2,1-2H3,(H,13,16)/b14-9+
InChIKey
HKRNLKJEZNSZMD-NTEUORMPSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.165576 159.4
[M+Na]+ 278.147518 163.4
[M-H]- 254.151024 162.0
[M+NH4]+ 273.192123 175.1
[M+K]+ 294.121458 162.8
[M+H-H2O]+ 238.155560 151.0
[M+HCOO]- 300.156501 182.5
[M+CH3COO]- 314.172151 200.6
[M+Na-2H]- 276.132966 163.5
[M]+ 255.15775142 160.9
[M]- 255.15884858 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.