CID 3690223

1-methyl-3-propyl-2-thiourea

Structural Information

Molecular Formula
C5H12N2S
SMILES
CCCNC(=S)NC
InChI
InChI=1S/C5H12N2S/c1-3-4-7-5(8)6-2/h3-4H2,1-2H3,(H2,6,7,8)
InChIKey
PRNKCKMGXDOUGR-UHFFFAOYSA-N
Compound name
1-methyl-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

132.07211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.079386 127.7
[M+Na]+ 155.061328 133.8
[M-H]- 131.064834 128.2
[M+NH4]+ 150.105933 149.7
[M+K]+ 171.035268 132.3
[M+H-H2O]+ 115.069370 122.3
[M+HCOO]- 177.070311 147.2
[M+CH3COO]- 191.085961 176.2
[M+Na-2H]- 153.046776 131.0
[M]+ 132.07156142 127.4
[M]- 132.07265858 127.4
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