CID 9926846

Isopropyl lauroyl sarcosinate

Structural Information

Molecular Formula
C18H35NO3
SMILES
CCCCCCCCCCCC(=O)N(C)CC(=O)OC(C)C
InChI
InChI=1S/C18H35NO3/c1-5-6-7-8-9-10-11-12-13-14-17(20)19(4)15-18(21)22-16(2)3/h16H,5-15H2,1-4H3
InChIKey
XLCIFRJORZNGEV-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[dodecanoyl(methyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3555
Patents

313.2617 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.26898 185.7
[M+Na]+ 336.25092 187.3
[M-H]- 312.25442 185.5
[M+NH4]+ 331.29552 200.7
[M+K]+ 352.22486 187.0
[M+H-H2O]+ 296.25896 178.4
[M+HCOO]- 358.25990 205.2
[M+CH3COO]- 372.27555 216.8
[M+Na-2H]- 334.23637 182.1
[M]+ 313.26115 192.8
[M]- 313.26225 192.8
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