CID 3001310

22042-87-1

Structural Information

Molecular Formula
C4H9N3S
SMILES
CCC=NNC(=S)N
InChI
InChI=1S/C4H9N3S/c1-2-3-6-7-4(5)8/h3H,2H2,1H3,(H3,5,7,8)
InChIKey
SREKQYKLPZJBJG-UHFFFAOYSA-N
Compound name
(propylideneamino)thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

36
Patents

131.05171 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05899 125.7
[M+Na]+ 154.04093 131.9
[M-H]- 130.04443 127.1
[M+NH4]+ 149.08553 147.5
[M+K]+ 170.01487 130.5
[M+H-H2O]+ 114.04897 119.6
[M+HCOO]- 176.04991 147.4
[M+CH3COO]- 190.06556 179.1
[M+Na-2H]- 152.02638 129.2
[M]+ 131.05116 124.3
[M]- 131.05226 124.3
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.