CID 5182446

N-(3-chloropropyl)-n,n-dimethyl-1-dodecanaminium bromide

Structural Information

Molecular Formula
C17H37ClN
SMILES
CCCCCCCCCCCC[N+](C)(C)CCCCl
InChI
InChI=1S/C17H37ClN/c1-4-5-6-7-8-9-10-11-12-13-16-19(2,3)17-14-15-18/h4-17H2,1-3H3/q+1
InChIKey
NBHVKELFSSALMG-UHFFFAOYSA-N
Compound name
3-chloropropyl-dodecyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

290.26144 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.26872 177.7
[M+Na]+ 313.25066 181.1
[M-H]- 289.25416 177.6
[M+NH4]+ 308.29526 195.0
[M+K]+ 329.22460 171.5
[M+H-H2O]+ 273.25870 175.1
[M+HCOO]- 335.25964 193.9
[M+CH3COO]- 349.27529 205.9
[M+Na-2H]- 311.23611 182.0
[M]+ 290.26089 183.9
[M]- 290.26199 183.9
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