CID 53481664

Pristanoylglycine

Structural Information

Molecular Formula
C21H41NO3
SMILES
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)NCC(=O)O
InChI
InChI=1S/C21H41NO3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)21(25)22-15-20(23)24/h16-19H,6-15H2,1-5H3,(H,22,25)(H,23,24)
InChIKey
ILSMDNVBZYGMDG-UHFFFAOYSA-N
Compound name
2-(2,6,10,14-tetramethylpentadecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.30865 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.31593 199.9
[M+Na]+ 378.29787 198.9
[M-H]- 354.30137 196.4
[M+NH4]+ 373.34247 208.6
[M+K]+ 394.27181 197.3
[M+H-H2O]+ 338.30591 192.9
[M+HCOO]- 400.30685 202.4
[M+CH3COO]- 414.32250 223.0
[M+Na-2H]- 376.28332 191.3
[M]+ 355.30810 203.0
[M]- 355.30920 203.0
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

No patent data available for this compound.