CID 2795339

(cyclopropylmethyl)thiourea

Structural Information

Molecular Formula
C5H10N2S
SMILES
C1CC1CNC(=S)N
InChI
InChI=1S/C5H10N2S/c6-5(8)7-3-4-1-2-4/h4H,1-3H2,(H3,6,7,8)
InChIKey
BHJTYNJTDMRWOT-UHFFFAOYSA-N
Compound name
cyclopropylmethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

130.05647 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.063746 119.8
[M+Na]+ 153.045688 127.7
[M-H]- 129.049194 124.0
[M+NH4]+ 148.090293 136.6
[M+K]+ 169.019628 124.5
[M+H-H2O]+ 113.053730 113.6
[M+HCOO]- 175.054671 139.5
[M+CH3COO]- 189.070321 178.2
[M+Na-2H]- 151.031136 123.5
[M]+ 130.05592142 120.1
[M]- 130.05701858 120.1
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