CID 61426

Lauryl sarcosine sodium

Structural Information

Molecular Formula
C15H31NO2
SMILES
CCCCCCCCCCCCN(C)CC(=O)O
InChI
InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-16(2)14-15(17)18/h3-14H2,1-2H3,(H,17,18)
InChIKey
BMYCCWYAFNPAQC-UHFFFAOYSA-N
Compound name
2-[dodecyl(methyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

109
References

25830
Patents

257.23547 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.24275 170.0
[M+Na]+ 280.22469 172.4
[M-H]- 256.22819 168.7
[M+NH4]+ 275.26929 186.6
[M+K]+ 296.19863 171.0
[M+H-H2O]+ 240.23273 163.3
[M+HCOO]- 302.23367 190.5
[M+CH3COO]- 316.24932 203.8
[M+Na-2H]- 278.21014 169.9
[M]+ 257.23492 174.8
[M]- 257.23602 174.8
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