CID 90758

1h-indene, 1-cyclohexyloctahydro-1,3,3-trimethyl-

Structural Information

Molecular Formula
C18H32
SMILES
CC1(CC(C2C1CCCC2)(C)C3CCCCC3)C
InChI
InChI=1S/C18H32/c1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17/h14-16H,4-13H2,1-3H3
InChIKey
XZTRZJDPHSPEAO-UHFFFAOYSA-N
Compound name
1-cyclohexyl-1,3,3-trimethyl-3a,4,5,6,7,7a-hexahydro-2H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

248.2504 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.25768 165.8
[M+Na]+ 271.23962 168.8
[M-H]- 247.24312 171.4
[M+NH4]+ 266.28422 189.5
[M+K]+ 287.21356 164.7
[M+H-H2O]+ 231.24766 159.4
[M+HCOO]- 293.24860 179.1
[M+CH3COO]- 307.26425 175.7
[M+Na-2H]- 269.22507 165.2
[M]+ 248.24985 156.8
[M]- 248.25095 156.8
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