CID 153214758

2680793-24-0

Structural Information

Molecular Formula
C4H10N2OS
SMILES
C1CS(=N)(=O)CC1N
InChI
InChI=1S/C4H10N2OS/c5-4-1-2-8(6,7)3-4/h4,6H,1-3,5H2
InChIKey
WMMKWEORTZMIQD-UHFFFAOYSA-N
Compound name
1-imino-1-oxothiolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.05139 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.058666 122.5
[M+Na]+ 157.040608 130.6
[M-H]- 133.044114 126.0
[M+NH4]+ 152.085213 147.7
[M+K]+ 173.014548 128.5
[M+H-H2O]+ 117.048650 118.3
[M+HCOO]- 179.049591 142.8
[M+CH3COO]- 193.065241 171.0
[M+Na-2H]- 155.026056 126.2
[M]+ 134.05084142 118.9
[M]- 134.05193858 118.9
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.