CID 46441

64037-76-9

Structural Information

Molecular Formula
C5H10N2O2S
SMILES
CCC(C(=O)O)SC(=N)N
InChI
InChI=1S/C5H10N2O2S/c1-2-3(4(8)9)10-5(6)7/h3H,2H2,1H3,(H3,6,7)(H,8,9)
InChIKey
FYCKZHGFASLYQW-UHFFFAOYSA-N
Compound name
2-carbamimidoylsulfanylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

162.0463 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.053576 134.7
[M+Na]+ 185.035518 139.6
[M-H]- 161.039024 133.0
[M+NH4]+ 180.080123 153.8
[M+K]+ 201.009458 138.0
[M+H-H2O]+ 145.043560 129.0
[M+HCOO]- 207.044501 150.5
[M+CH3COO]- 221.060151 178.7
[M+Na-2H]- 183.020966 134.2
[M]+ 162.04575142 132.3
[M]- 162.04684858 132.3
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.