CID 2560481

Cyclopropylthiourea

Structural Information

Molecular Formula
C4H8N2S
SMILES
C1CC1NC(=S)N
InChI
InChI=1S/C4H8N2S/c5-4(7)6-3-1-2-3/h3H,1-2H2,(H3,5,6,7)
InChIKey
HRRQVVNZENCVRA-UHFFFAOYSA-N
Compound name
cyclopropylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

175
Patents

116.04082 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.04810 115.8
[M+Na]+ 139.03004 124.1
[M-H]- 115.03354 120.2
[M+NH4]+ 134.07464 133.1
[M+K]+ 155.00398 121.2
[M+H-H2O]+ 99.038080 109.8
[M+HCOO]- 161.03902 135.8
[M+CH3COO]- 175.05467 175.3
[M+Na-2H]- 137.01549 119.9
[M]+ 116.04027 115.7
[M]- 116.04137 115.7
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