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]+ 171.13796 137.0
[M+Na]+ 193.11990 143.4
[M-H]- 169.12340 142.5
[M+NH4]+ 188.16450 151.8
[M+K]+ 209.09384 141.2
[M+H-H2O]+ 153.12794 130.7
[M+HCOO]- 215.12888 156.3
[M+CH3COO]- 229.14453 180.0
[M+Na-2H]- 191.10535 141.2
[M]+ 170.13013 135.7
[M]- 170.13123 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.