CID 91098

2-methoxy-4-propylcyclohexan-1-ol

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCC1CCC(C(C1)OC)O
InChI
InChI=1S/C10H20O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h8-11H,3-7H2,1-2H3
InChIKey
FLNSLKJOWVMPEE-UHFFFAOYSA-N
Compound name
2-methoxy-4-propylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

166
Patents

172.14633 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 140.2
[M+Na]+ 195.135548 145.5
[M-H]- 171.139054 141.8
[M+NH4]+ 190.180153 160.2
[M+K]+ 211.109488 144.2
[M+H-H2O]+ 155.143590 135.0
[M+HCOO]- 217.144531 159.0
[M+CH3COO]- 231.160181 179.1
[M+Na-2H]- 193.120996 143.0
[M]+ 172.14578142 137.9
[M]- 172.14687858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe