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

50
Patents

194.20345 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.210726 146.3
[M+Na]+ 217.192668 153.7
[M-H]- 193.196174 150.6
[M+NH4]+ 212.237273 173.3
[M+K]+ 233.166608 150.8
[M+H-H2O]+ 177.200710 142.6
[M+HCOO]- 239.201651 164.0
[M+CH3COO]- 253.217301 188.1
[M+Na-2H]- 215.178116 148.8
[M]+ 194.20290142 143.3
[M]- 194.20399858 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