CID 24131540

4-[(4-methylcyclohexyl)amino]cyclohexan-1-ol

Structural Information

Molecular Formula
C13H25NO
SMILES
CC1CCC(CC1)NC2CCC(CC2)O
InChI
InChI=1S/C13H25NO/c1-10-2-4-11(5-3-10)14-12-6-8-13(15)9-7-12/h10-15H,2-9H2,1H3
InChIKey
MTMTYFVAPKIEOQ-UHFFFAOYSA-N
Compound name
4-[(4-methylcyclohexyl)amino]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.19362 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.200896 152.1
[M+Na]+ 234.182838 153.5
[M-H]- 210.186344 155.6
[M+NH4]+ 229.227443 169.4
[M+K]+ 250.156778 150.7
[M+H-H2O]+ 194.190880 145.3
[M+HCOO]- 256.191821 167.8
[M+CH3COO]- 270.207471 187.8
[M+Na-2H]- 232.168286 153.1
[M]+ 211.19307142 141.8
[M]- 211.19416858 141.8
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.