CID 155198

Methyloctadecylnitrosamine

Structural Information

Molecular Formula
C19H40N2O
SMILES
CCCCCCCCCCCCCCCCCCN(C)N=O
InChI
InChI=1S/C19H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2)20-22/h3-19H2,1-2H3
InChIKey
BOZIJWXTDWOIBU-UHFFFAOYSA-N
Compound name
N-methyl-N-octadecylnitrous amide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2
Patents

312.31406 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.32134 187.2
[M+Na]+ 335.30328 188.1
[M-H]- 311.30678 187.7
[M+NH4]+ 330.34788 202.7
[M+K]+ 351.27722 186.5
[M+H-H2O]+ 295.31132 178.7
[M+HCOO]- 357.31226 211.1
[M+CH3COO]- 371.32791 223.3
[M+Na-2H]- 333.28873 187.5
[M]+ 312.31351 195.7
[M]- 312.31461 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe