CID 43298783

3-amino-1-(cyclobutylmethyl)thiourea

Structural Information

Molecular Formula
C6H13N3S
SMILES
C1CC(C1)CNC(=S)NN
InChI
InChI=1S/C6H13N3S/c7-9-6(10)8-4-5-2-1-3-5/h5H,1-4,7H2,(H2,8,9,10)
InChIKey
RPGMICHMIHQXMV-UHFFFAOYSA-N
Compound name
1-amino-3-(cyclobutylmethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.08302 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.090296 134.8
[M+Na]+ 182.072238 136.6
[M-H]- 158.075744 136.8
[M+NH4]+ 177.116843 147.7
[M+K]+ 198.046178 137.9
[M+H-H2O]+ 142.080280 121.4
[M+HCOO]- 204.081221 152.1
[M+CH3COO]- 218.096871 184.9
[M+Na-2H]- 180.057686 136.2
[M]+ 159.08247142 138.5
[M]- 159.08356858 138.5
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

No patent data available for this compound.