CID 85294

16111-14-1

Structural Information

Molecular Formula
C4H10N2OS
SMILES
C(CO)CSC(=N)N
InChI
InChI=1S/C4H10N2OS/c5-4(6)8-3-1-2-7/h7H,1-3H2,(H3,5,6)
InChIKey
KLWXNJOZYMKOGZ-UHFFFAOYSA-N
Compound name
3-hydroxypropyl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

134.05139 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.058666 126.7
[M+Na]+ 157.040608 132.6
[M-H]- 133.044114 125.2
[M+NH4]+ 152.085213 147.3
[M+K]+ 173.014548 130.3
[M+H-H2O]+ 117.048650 121.4
[M+HCOO]- 179.049591 144.6
[M+CH3COO]- 193.065241 172.6
[M+Na-2H]- 155.026056 129.0
[M]+ 134.05084142 124.6
[M]- 134.05193858 124.6
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