CID 16389

Decyltrimethylammonium

Structural Information

Molecular Formula
C13H30N
SMILES
CCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C13H30N/c1-5-6-7-8-9-10-11-12-13-14(2,3)4/h5-13H2,1-4H3/q+1
InChIKey
RKMJXTWHATWGNX-UHFFFAOYSA-N
Compound name
decyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

138
References

12885
Patents

200.23782 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.24510 151.9
[M+Na]+ 223.22704 156.4
[M-H]- 199.23054 153.0
[M+NH4]+ 218.27164 172.2
[M+K]+ 239.20098 150.1
[M+H-H2O]+ 183.23508 149.5
[M+HCOO]- 245.23602 174.1
[M+CH3COO]- 259.25167 190.1
[M+Na-2H]- 221.21249 159.1
[M]+ 200.23727 154.9
[M]- 200.23837 154.9
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