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]+ 274.20128 169.0
[M+Na]+ 296.18322 173.6
[M+NH4]+ 291.22782 172.5
[M+K]+ 312.15716 170.2
[M-H]- 272.18672 165.1
[M+Na-2H]- 294.16867 167.2
[M]+ 273.19345 167.8
[M]- 273.19455 167.8
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

No patent data available for this compound.