CID 115640894

1-methyl-3-[3-(methylsulfanyl)propyl]urea

Structural Information

Molecular Formula
C6H14N2OS
SMILES
CNC(=O)NCCCSC
InChI
InChI=1S/C6H14N2OS/c1-7-6(9)8-4-3-5-10-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKey
OSJKQCHTYPJFSO-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-methylsulfanylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08269 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.089966 135.3
[M+Na]+ 185.071908 140.8
[M-H]- 161.075414 135.5
[M+NH4]+ 180.116513 155.9
[M+K]+ 201.045848 139.4
[M+H-H2O]+ 145.079950 129.4
[M+HCOO]- 207.080891 154.7
[M+CH3COO]- 221.096541 181.2
[M+Na-2H]- 183.057356 138.1
[M]+ 162.08214142 136.7
[M]- 162.08323858 136.7
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.