CID 853362

(2-methylpropyl)thiourea

Structural Information

Molecular Formula
C5H12N2S
SMILES
CC(C)CNC(=S)N
InChI
InChI=1S/C5H12N2S/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)
InChIKey
RGTMILHZLXZRGF-UHFFFAOYSA-N
Compound name
2-methylpropylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

132.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.07939 128.6
[M+Na]+ 155.06133 134.2
[M-H]- 131.06483 128.5
[M+NH4]+ 150.10593 150.0
[M+K]+ 171.03527 132.8
[M+H-H2O]+ 115.06937 123.1
[M+HCOO]- 177.07031 146.3
[M+CH3COO]- 191.08596 177.1
[M+Na-2H]- 153.04678 129.6
[M]+ 132.07156 126.6
[M]- 132.07266 126.6
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