CID 8889

Lauric isopropanol amide

Structural Information

Molecular Formula
C15H31NO2
SMILES
CCCCCCCCCCCC(=O)NC(C)(C)O
InChI
InChI=1S/C15H31NO2/c1-4-5-6-7-8-9-10-11-12-13-14(17)16-15(2,3)18/h18H,4-13H2,1-3H3,(H,16,17)
InChIKey
JHBUNKKNHQVQFT-UHFFFAOYSA-N
Compound name
N-(2-hydroxypropan-2-yl)dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

257.23547 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.24275 169.7
[M+Na]+ 280.22469 172.4
[M-H]- 256.22819 167.2
[M+NH4]+ 275.26929 185.9
[M+K]+ 296.19863 170.1
[M+H-H2O]+ 240.23273 163.9
[M+HCOO]- 302.23367 188.2
[M+CH3COO]- 316.24932 200.1
[M+Na-2H]- 278.21014 171.2
[M]+ 257.23492 172.6
[M]- 257.23602 172.6
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