CID 18000692

Cyclobutylthiourea

Structural Information

Molecular Formula
C5H10N2S
SMILES
C1CC(C1)NC(=S)N
InChI
InChI=1S/C5H10N2S/c6-5(8)7-4-2-1-3-4/h4H,1-3H2,(H3,6,7,8)
InChIKey
KTNJMTPGENILGB-UHFFFAOYSA-N
Compound name
cyclobutylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

130.05647 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.06375 125.8
[M+Na]+ 153.04569 129.0
[M-H]- 129.04919 128.2
[M+NH4]+ 148.09029 140.2
[M+K]+ 169.01963 130.6
[M+H-H2O]+ 113.05373 113.5
[M+HCOO]- 175.05467 142.6
[M+CH3COO]- 189.07032 177.7
[M+Na-2H]- 151.03114 127.5
[M]+ 130.05592 130.1
[M]- 130.05702 130.1
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