CID 118537

1h-indene, octahydro-1,1,2,3,3-pentamethyl-

Structural Information

Molecular Formula
C14H26
SMILES
CC1C(C2CCCCC2C1(C)C)(C)C
InChI
InChI=1S/C14H26/c1-10-13(2,3)11-8-6-7-9-12(11)14(10,4)5/h10-12H,6-9H2,1-5H3
InChIKey
TUALLFJCLUYJEN-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentamethyl-3a,4,5,6,7,7a-hexahydro-2H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

194.20345 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.21073 146.3
[M+Na]+ 217.19267 153.7
[M-H]- 193.19617 150.6
[M+NH4]+ 212.23727 173.3
[M+K]+ 233.16661 150.8
[M+H-H2O]+ 177.20071 142.6
[M+HCOO]- 239.20165 164.0
[M+CH3COO]- 253.21730 188.1
[M+Na-2H]- 215.17812 148.8
[M]+ 194.20290 143.3
[M]- 194.20400 143.3
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