CID 5745587

1-dodecyl-4-(amino(hydroxyimino)methyl)pyridinium bromide

Structural Information

Molecular Formula
C18H31N3O
SMILES
CCCCCCCCCCCCN1C=CC(=CNN=O)C=C1
InChI
InChI=1S/C18H31N3O/c1-2-3-4-5-6-7-8-9-10-11-14-21-15-12-18(13-16-21)17-19-20-22/h12-13,15-17H,2-11,14H2,1H3,(H,19,22)
InChIKey
CGOHHJZXACPYFM-UHFFFAOYSA-N
Compound name
N-[(1-dodecylpyridin-4-ylidene)methyl]nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.2467 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.25398 178.0
[M+Na]+ 328.23592 180.6
[M-H]- 304.23942 179.5
[M+NH4]+ 323.28052 191.6
[M+K]+ 344.20986 176.7
[M+H-H2O]+ 288.24396 168.5
[M+HCOO]- 350.24490 200.9
[M+CH3COO]- 364.26055 214.7
[M+Na-2H]- 326.22137 180.9
[M]+ 305.24615 180.9
[M]- 305.24725 180.9
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.