CID 9588821

Brn 5817330

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]+ 256.16558 160.3
[M+Na]+ 278.14752 168.2
[M+NH4]+ 273.19212 165.9
[M+K]+ 294.12146 163.0
[M-H]- 254.15102 161.1
[M+Na-2H]- 276.13297 163.7
[M]+ 255.15775 161.1
[M]- 255.15885 161.1
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.