CID 111875

Hexahydrodimethyl-1h-benzindene

Structural Information

Molecular Formula
C15H20
SMILES
CC1CC(C2C1CC3=CC=CC=C3C2)C
InChI
InChI=1S/C15H20/c1-10-7-11(2)15-9-13-6-4-3-5-12(13)8-14(10)15/h3-6,10-11,14-15H,7-9H2,1-2H3
InChIKey
GTFNGWNNWQAMKS-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.1565 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.16378 146.4
[M+Na]+ 223.14572 153.8
[M-H]- 199.14922 151.4
[M+NH4]+ 218.19032 170.0
[M+K]+ 239.11966 149.3
[M+H-H2O]+ 183.15376 140.9
[M+HCOO]- 245.15470 165.1
[M+CH3COO]- 259.17035 159.2
[M+Na-2H]- 221.13117 149.7
[M]+ 200.15595 143.4
[M]- 200.15705 143.4
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.