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 139.7
[M+Na]+ 193.13112 143.3
[M-H]- 169.13462 142.5
[M+NH4]+ 188.17572 159.4
[M+K]+ 209.10506 142.4
[M+H-H2O]+ 153.13916 133.6
[M+HCOO]- 215.14010 161.3
[M+CH3COO]- 229.15575 184.0
[M+Na-2H]- 191.11657 143.4
[M]+ 170.14135 134.0
[M]- 170.14245 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.