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

578
Patents

232.18271 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 156.2
[M+Na]+ 255.17193 160.7
[M-H]- 231.17543 161.9
[M+NH4]+ 250.21653 174.1
[M+K]+ 271.14587 157.6
[M+H-H2O]+ 215.17997 148.9
[M+HCOO]- 277.18091 175.9
[M+CH3COO]- 291.19656 193.4
[M+Na-2H]- 253.15738 158.8
[M]+ 232.18216 153.9
[M]- 232.18326 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