CID 3868600

(6-methylheptan-2-yl)thiourea

Structural Information

Molecular Formula
C9H20N2S
SMILES
CC(C)CCCC(C)NC(=S)N
InChI
InChI=1S/C9H20N2S/c1-7(2)5-4-6-8(3)11-9(10)12/h7-8H,4-6H2,1-3H3,(H3,10,11,12)
InChIKey
AUEXUZQBMAFOBJ-UHFFFAOYSA-N
Compound name
6-methylheptan-2-ylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.13472 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.14200 146.6
[M+Na]+ 211.12394 152.9
[M+NH4]+ 206.16854 153.9
[M+K]+ 227.09788 146.7
[M-H]- 187.12744 146.6
[M+Na-2H]- 209.10939 147.8
[M]+ 188.13417 147.5
[M]- 188.13527 147.5
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.