CID 590198

81936-32-5

Structural Information

Molecular Formula
C16H24O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)OC
InChI
InChI=1S/C16H24O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h9-14H,3-8H2,1-2H3
InChIKey
MDUQZBFHDPNORI-UHFFFAOYSA-N
Compound name
1-methoxy-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

620
Patents

232.18271 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.189986 156.2
[M+Na]+ 255.171928 160.7
[M-H]- 231.175434 161.9
[M+NH4]+ 250.216533 174.1
[M+K]+ 271.145868 157.6
[M+H-H2O]+ 215.179970 148.9
[M+HCOO]- 277.180911 175.9
[M+CH3COO]- 291.196561 193.4
[M+Na-2H]- 253.157376 158.8
[M]+ 232.18216142 153.9
[M]- 232.18325858 153.9
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

patents stripe