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 170.5
[M+Na]+ 296.18322 172.4
[M-H]- 272.18672 166.5
[M+NH4]+ 291.22782 184.7
[M+K]+ 312.15716 170.5
[M+H-H2O]+ 256.19126 164.1
[M+HCOO]- 318.19220 188.0
[M+CH3COO]- 332.20785 199.2
[M+Na-2H]- 294.16867 168.7
[M]+ 273.19345 172.4
[M]- 273.19455 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.