CID 9588740

(e)-1-pentyl-1,2,5,6-tetrahydro-3-pyridinecarboxaldehyde o-methyloxime monohydrochloride

Structural Information

Molecular Formula
C12H22N2O
SMILES
CCCCCN1CCC=C(C1)/C=N/OC
InChI
InChI=1S/C12H22N2O/c1-3-4-5-8-14-9-6-7-12(11-14)10-13-15-2/h7,10H,3-6,8-9,11H2,1-2H3/b13-10+
InChIKey
QUQLGADRAQBBKN-JLHYYAGUSA-N
Compound name
(E)-N-methoxy-1-(1-pentyl-3,6-dihydro-2H-pyridin-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

210.17322 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.18050 150.9
[M+Na]+ 233.16244 155.7
[M-H]- 209.16594 153.3
[M+NH4]+ 228.20704 168.9
[M+K]+ 249.13638 154.2
[M+H-H2O]+ 193.17048 143.1
[M+HCOO]- 255.17142 173.2
[M+CH3COO]- 269.18707 192.9
[M+Na-2H]- 231.14789 155.6
[M]+ 210.17267 151.7
[M]- 210.17377 151.7
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

patents stripe