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]+ 160.09030 134.8
[M+Na]+ 182.07224 136.6
[M-H]- 158.07574 136.8
[M+NH4]+ 177.11684 147.7
[M+K]+ 198.04618 137.9
[M+H-H2O]+ 142.08028 121.4
[M+HCOO]- 204.08122 152.1
[M+CH3COO]- 218.09687 184.9
[M+Na-2H]- 180.05769 136.2
[M]+ 159.08247 138.5
[M]- 159.08357 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.