CID 170288

40220-90-4

Structural Information

Molecular Formula
C21H43N2O
SMILES
CCCCCCCCCCCCCCCC(=O)N[N+](C)(C)CC=C
InChI
InChI=1S/C21H42N2O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)22-23(3,4)20-6-2/h6H,2,5,7-20H2,1,3-4H3/p+1
InChIKey
DWAOBVAURJVFPP-UHFFFAOYSA-O
Compound name
(hexadecanoylamino)-dimethyl-prop-2-enylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.33752 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.34480 192.7
[M+Na]+ 362.32674 193.2
[M-H]- 338.33024 192.1
[M+NH4]+ 357.37134 206.6
[M+K]+ 378.30068 184.4
[M+H-H2O]+ 322.33478 188.1
[M+HCOO]- 384.33572 212.7
[M+CH3COO]- 398.35137 218.5
[M+Na-2H]- 360.31219 194.8
[M]+ 339.33697 197.0
[M]- 339.33807 197.0
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.