CID 3064586

105099-07-8

Structural Information

Molecular Formula
C7H12N2O2S
SMILES
C1CC(=NC1)N[C@@H](CS)C(=O)O
InChI
InChI=1S/C7H12N2O2S/c10-7(11)5(4-12)9-6-2-1-3-8-6/h5,12H,1-4H2,(H,8,9)(H,10,11)/t5-/m0/s1
InChIKey
YXFIYUWSSPOXMN-YFKPBYRVSA-N
Compound name
(2R)-2-(3,4-dihydro-2H-pyrrol-5-ylamino)-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06195 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06923 140.9
[M+Na]+ 211.05117 147.9
[M+NH4]+ 206.09577 147.9
[M+K]+ 227.02511 144.3
[M-H]- 187.05467 140.5
[M+Na-2H]- 209.03662 143.3
[M]+ 188.06140 141.7
[M]- 188.06250 141.7
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.