CID 10807342

N-(3-hydroxy-15-methylhexadecanoyl)glycine

Structural Information

Molecular Formula
C19H37NO4
SMILES
CC(C)CCCCCCCCCCCC(CC(=O)NCC(=O)O)O
InChI
InChI=1S/C19H37NO4/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-17(21)14-18(22)20-15-19(23)24/h16-17,21H,3-15H2,1-2H3,(H,20,22)(H,23,24)
InChIKey
ROADDMALLLSXMM-UHFFFAOYSA-N
Compound name
2-[(3-hydroxy-15-methylhexadecanoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

343.27225 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.27953 193.3
[M+Na]+ 366.26147 192.9
[M-H]- 342.26497 188.5
[M+NH4]+ 361.30607 204.6
[M+K]+ 382.23541 190.4
[M+H-H2O]+ 326.26951 186.2
[M+HCOO]- 388.27045 208.1
[M+CH3COO]- 402.28610 214.9
[M+Na-2H]- 364.24692 187.7
[M]+ 343.27170 196.5
[M]- 343.27280 196.5
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