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 145.6
[M+Na]+ 225.06682 151.5
[M-H]- 201.07032 147.6
[M+NH4]+ 220.11142 165.3
[M+K]+ 241.04076 150.2
[M+H-H2O]+ 185.07486 139.3
[M+HCOO]- 247.07580 161.4
[M+CH3COO]- 261.09145 184.8
[M+Na-2H]- 223.05227 144.2
[M]+ 202.07705 145.5
[M]- 202.07815 145.5
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

patents stripe