CID 3064589

105099-10-3

Structural Information

Molecular Formula
C8H14N2O2S
SMILES
CN1CCCC1=N[C@@H](CS)C(=O)O
InChI
InChI=1S/C8H14N2O2S/c1-10-4-2-3-7(10)9-6(5-13)8(11)12/h6,13H,2-5H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey
JOHFGHFMCBDDPF-LURJTMIESA-N
Compound name
(2R)-2-[(1-methylpyrrolidin-2-ylidene)amino]-3-sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0776 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.08488 146.3
[M+Na]+ 225.06682 153.2
[M+NH4]+ 220.11142 153.2
[M+K]+ 241.04076 149.2
[M-H]- 201.07032 146.0
[M+Na-2H]- 223.05227 147.8
[M]+ 202.07705 147.1
[M]- 202.07815 147.1
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.