CID 20757978

N-(3-methacrylamidopropyl)-n,n-dimethyldodecan-1-aminium bromide

Structural Information

Molecular Formula
C21H43N2O
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCNC(=O)C(=C)C
InChI
InChI=1S/C21H42N2O/c1-6-7-8-9-10-11-12-13-14-15-18-23(4,5)19-16-17-22-21(24)20(2)3/h2,6-19H2,1,3-5H3/p+1
InChIKey
NEURGJZJDGOFSJ-UHFFFAOYSA-O
Compound name
dodecyl-dimethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

444
Patents

339.33752 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.34480 192.9
[M+Na]+ 362.32674 193.3
[M-H]- 338.33024 192.5
[M+NH4]+ 357.37134 219.9
[M+K]+ 378.30068 185.0
[M+H-H2O]+ 322.33478 188.5
[M+HCOO]- 384.33572 231.7
[M+CH3COO]- 398.35137 219.1
[M+Na-2H]- 360.31219 193.9
[M]+ 339.33697 196.6
[M]- 339.33807 196.6
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

patents stripe