CID 104456797

4-(cyclopropylmethoxy)cyclohexan-1-ol

Structural Information

Molecular Formula
C10H18O2
SMILES
C1CC1COC2CCC(CC2)O
InChI
InChI=1S/C10H18O2/c11-9-3-5-10(6-4-9)12-7-8-1-2-8/h8-11H,1-7H2
InChIKey
CRRPXEOVUBORHW-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethoxy)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 137.0
[M+Na]+ 193.119898 143.4
[M-H]- 169.123404 142.5
[M+NH4]+ 188.164503 151.8
[M+K]+ 209.093838 141.2
[M+H-H2O]+ 153.127940 130.7
[M+HCOO]- 215.128881 156.3
[M+CH3COO]- 229.144531 180.0
[M+Na-2H]- 191.105346 141.2
[M]+ 170.13013142 135.7
[M]- 170.13122858 135.7
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.