CID 138008216

Rac-3-methyl-1-[(1r,2s)-2-methylcyclohexyl]urea

Structural Information

Molecular Formula
C9H18N2O
SMILES
C[C@H]1CCCC[C@H]1NC(=O)NC
InChI
InChI=1S/C9H18N2O/c1-7-5-3-4-6-8(7)11-9(12)10-2/h7-8H,3-6H2,1-2H3,(H2,10,11,12)/t7-,8+/m0/s1
InChIKey
LFVKHLRMUDVHKR-JGVFFNPUSA-N
Compound name
1-methyl-3-[(1R,2S)-2-methylcyclohexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.1419 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 139.9
[M+Na]+ 193.13112 148.2
[M+NH4]+ 188.17572 148.0
[M+K]+ 209.10506 142.8
[M-H]- 169.13462 142.3
[M+Na-2H]- 191.11657 144.1
[M]+ 170.14135 141.3
[M]- 170.14245 141.3
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.