CID 135563678

N-dodecanoyl-(2s)-hydroxyglycine

Structural Information

Molecular Formula
C14H27NO4
SMILES
CCCCCCCCCCCC(=O)N[C@H](C(=O)O)O
InChI
InChI=1S/C14H27NO4/c1-2-3-4-5-6-7-8-9-10-11-12(16)15-13(17)14(18)19/h13,17H,2-11H2,1H3,(H,15,16)(H,18,19)/t13-/m0/s1
InChIKey
JHNQOAIDMUHKEW-ZDUSSCGKSA-N
Compound name
(2S)-2-(dodecanoylamino)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.194 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.201276 170.5
[M+Na]+ 296.183218 172.4
[M-H]- 272.186724 166.5
[M+NH4]+ 291.227823 184.7
[M+K]+ 312.157158 170.5
[M+H-H2O]+ 256.191260 164.1
[M+HCOO]- 318.192201 188.0
[M+CH3COO]- 332.207851 199.2
[M+Na-2H]- 294.168666 168.7
[M]+ 273.19345142 172.4
[M]- 273.19454858 172.4
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.