CID 165339

Cysteinesulfenic acid

Structural Information

Molecular Formula
C3H7NO3S
SMILES
C([C@@H](C(=O)O)N)SO
InChI
InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
FXIRVRPOOYSARH-REOHCLBHSA-N
Compound name
(2R)-2-amino-3-hydroxysulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

97
References

397
Patents

137.01466 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.021936 125.8
[M+Na]+ 160.003878 131.9
[M-H]- 136.007384 123.0
[M+NH4]+ 155.048483 145.6
[M+K]+ 175.977818 130.5
[M+H-H2O]+ 120.011920 120.9
[M+HCOO]- 182.012861 141.0
[M+CH3COO]- 196.028511 167.8
[M+Na-2H]- 157.989326 126.7
[M]+ 137.01411142 124.5
[M]- 137.01520858 124.5
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