CID 61735

14351-50-9

Structural Information

Molecular Formula
C20H41NO
SMILES
CCCCCCCCC=CCCCCCCCC[N+](C)(C)[O-]
InChI
InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2,3)22/h11-12H,4-10,13-20H2,1-3H3
InChIKey
QCTZUSWOKFCWNB-UHFFFAOYSA-N
Compound name
N,N-dimethyloctadec-9-en-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

1913
Patents

311.31882 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.32610 189.3
[M+Na]+ 334.30804 190.9
[M-H]- 310.31154 187.4
[M+NH4]+ 329.35264 205.9
[M+K]+ 350.28198 182.5
[M+H-H2O]+ 294.31608 187.7
[M+HCOO]- 356.31702 225.6
[M+CH3COO]- 370.33267 208.5
[M+Na-2H]- 332.29349 191.7
[M]+ 311.31827 193.2
[M]- 311.31937 193.2
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