CID 13547977

3chmep

Structural Information

Molecular Formula
C16H24
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H24/c1-3-4-14-7-11-16(12-8-14)15-9-5-13(2)6-10-15/h5-6,9-10,14,16H,3-4,7-8,11-12H2,1-2H3
InChIKey
YCAYVMOKDCQMPX-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-propylcyclohexyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

216.1878 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.19508 152.6
[M+Na]+ 239.17702 157.2
[M-H]- 215.18052 158.3
[M+NH4]+ 234.22162 171.2
[M+K]+ 255.15096 153.5
[M+H-H2O]+ 199.18506 145.5
[M+HCOO]- 261.18600 172.0
[M+CH3COO]- 275.20165 191.4
[M+Na-2H]- 237.16247 155.2
[M]+ 216.18725 148.8
[M]- 216.18835 148.8
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