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 179.2
[M+Na]+ 328.23592 188.1
[M+NH4]+ 323.28052 185.2
[M+K]+ 344.20986 179.3
[M-H]- 304.23942 181.2
[M+Na-2H]- 326.22137 183.2
[M]+ 305.24615 180.6
[M]- 305.24725 180.6
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.