CID 65249

N-acetyl-l-serine

Structural Information

Molecular Formula
C5H9NO4
SMILES
CC(=O)N[C@@H](CO)C(=O)O
InChI
InChI=1S/C5H9NO4/c1-3(8)6-4(2-7)5(9)10/h4,7H,2H2,1H3,(H,6,8)(H,9,10)/t4-/m0/s1
InChIKey
JJIHLJJYMXLCOY-BYPYZUCNSA-N
Compound name
(2S)-2-acetamido-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

46
References

11673
Patents

147.05316 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.06044 129.5
[M+Na]+ 170.04238 135.2
[M-H]- 146.04588 127.2
[M+NH4]+ 165.08698 148.8
[M+K]+ 186.01632 135.5
[M+H-H2O]+ 130.05042 124.7
[M+HCOO]- 192.05136 149.9
[M+CH3COO]- 206.06701 172.1
[M+Na-2H]- 168.02783 132.3
[M]+ 147.05261 128.0
[M]- 147.05371 128.0
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

patents stripe