CID 61871598

1192067-14-3

Structural Information

Molecular Formula
C8H16N2S
SMILES
CC1(CCCCC1)NC(=S)N
InChI
InChI=1S/C8H16N2S/c1-8(10-7(9)11)5-3-2-4-6-8/h2-6H2,1H3,(H3,9,10,11)
InChIKey
JAVLZKCFFTZCKR-UHFFFAOYSA-N
Compound name
(1-methylcyclohexyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10342 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11070 137.1
[M+Na]+ 195.09264 141.1
[M-H]- 171.09614 139.3
[M+NH4]+ 190.13724 158.7
[M+K]+ 211.06658 138.8
[M+H-H2O]+ 155.10068 131.9
[M+HCOO]- 217.10162 152.6
[M+CH3COO]- 231.11727 181.1
[M+Na-2H]- 193.07809 139.6
[M]+ 172.10287 130.9
[M]- 172.10397 130.9
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.