CID 72348

Myristoyl-gly-oh

Structural Information

Molecular Formula
C16H31NO3
SMILES
CCCCCCCCCCCCCC(=O)NCC(=O)O
InChI
InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20)
InChIKey
DYUGTPXLDJQBRB-UHFFFAOYSA-N
Compound name
2-(tetradecanoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

2116
Patents

285.2304 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.23768 176.1
[M+Na]+ 308.21962 177.9
[M-H]- 284.22312 173.1
[M+NH4]+ 303.26422 190.7
[M+K]+ 324.19356 175.3
[M+H-H2O]+ 268.22766 169.2
[M+HCOO]- 330.22860 195.2
[M+CH3COO]- 344.24425 204.7
[M+Na-2H]- 306.20507 175.0
[M]+ 285.22985 179.9
[M]- 285.23095 179.9
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