CID 1808158

3-amino-1-cyclopropylthiourea

Structural Information

Molecular Formula
C4H9N3S
SMILES
C1CC1NC(=S)NN
InChI
InChI=1S/C4H9N3S/c5-7-4(8)6-3-1-2-3/h3H,1-2,5H2,(H2,6,7,8)
InChIKey
IWYSVPJSANLOFP-UHFFFAOYSA-N
Compound name
1-amino-3-cyclopropylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

131.05171 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.05899 117.9
[M+Na]+ 154.04093 125.4
[M-H]- 130.04443 122.1
[M+NH4]+ 149.08553 134.3
[M+K]+ 170.01487 122.1
[M+H-H2O]+ 114.04897 111.6
[M+HCOO]- 176.04991 138.8
[M+CH3COO]- 190.06556 179.4
[M+Na-2H]- 152.02638 122.5
[M]+ 131.05116 117.0
[M]- 131.05226 117.0
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