CID 118536

2,3,4,5,6,7-hexahydro-1,1,2,3,3-pentamethyl-1h-indene

Structural Information

Molecular Formula
C14H24
SMILES
CC1C(C2=C(C1(C)C)CCCC2)(C)C
InChI
InChI=1S/C14H24/c1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5/h10H,6-9H2,1-5H3
InChIKey
CDEGOUYLXTUDAU-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentamethyl-4,5,6,7-tetrahydro-2H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

192.1878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.19508 144.2
[M+Na]+ 215.17702 152.7
[M-H]- 191.18052 149.0
[M+NH4]+ 210.22162 171.5
[M+K]+ 231.15096 149.6
[M+H-H2O]+ 175.18506 140.5
[M+HCOO]- 237.18600 163.5
[M+CH3COO]- 251.20165 187.7
[M+Na-2H]- 213.16247 147.8
[M]+ 192.18725 142.8
[M]- 192.18835 142.8
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