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]+ 171.149176 139.7
[M+Na]+ 193.131118 143.3
[M-H]- 169.134624 142.5
[M+NH4]+ 188.175723 159.4
[M+K]+ 209.105058 142.4
[M+H-H2O]+ 153.139160 133.6
[M+HCOO]- 215.140101 161.3
[M+CH3COO]- 229.155751 184.0
[M+Na-2H]- 191.116566 143.4
[M]+ 170.14135142 134.0
[M]- 170.14244858 134.0
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.