CID 5862

L-cysteine

Structural Information

Molecular Formula
C3H7NO2S
SMILES
C([C@@H](C(=O)O)N)S
InChI
InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
XUJNEKJLAYXESH-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

74968
References

272743
Patents

121.01975 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.027026 122.4
[M+Na]+ 144.008968 129.1
[M-H]- 120.012474 121.2
[M+NH4]+ 139.053573 143.8
[M+K]+ 159.982908 128.2
[M+H-H2O]+ 104.017010 117.7
[M+HCOO]- 166.017951 138.9
[M+CH3COO]- 180.033601 168.2
[M+Na-2H]- 141.994416 123.7
[M]+ 121.01920142 121.6
[M]- 121.02029858 121.6
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