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

37
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

literature stripe

Patent stripe

patents stripe