CID 528761

5,7alpha-dihydro-1,4,4,7a-tetramethyl-4h-indene

Structural Information

Molecular Formula
C13H18
SMILES
CC1=CC=C2C1(C=CCC2(C)C)C
InChI
InChI=1S/C13H18/c1-10-6-7-11-12(2,3)8-5-9-13(10,11)4/h5-7,9H,8H2,1-4H3
InChIKey
XOFDOXJFXCEFDE-UHFFFAOYSA-N
Compound name
1,4,4,7a-tetramethyl-5H-indene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

174.14085 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.14813 137.4
[M+Na]+ 197.13007 147.6
[M-H]- 173.13357 142.9
[M+NH4]+ 192.17467 165.3
[M+K]+ 213.10401 144.3
[M+H-H2O]+ 157.13811 133.5
[M+HCOO]- 219.13905 160.1
[M+CH3COO]- 233.15470 182.8
[M+Na-2H]- 195.11552 144.2
[M]+ 174.14030 138.3
[M]- 174.14140 138.3
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

No patent data available for this compound.