CID 86197790

206355-74-0

Structural Information

Molecular Formula
C12H14O
SMILES
CC1CCC(=O)CC2=CC=CC=C12
InChI
InChI=1S/C12H14O/c1-9-6-7-11(13)8-10-4-2-3-5-12(9)10/h2-5,9H,6-8H2,1H3
InChIKey
CJNRGPRRTUIXJT-UHFFFAOYSA-N
Compound name
9-methyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 132.4
[M+Na]+ 197.093678 138.4
[M-H]- 173.097184 138.0
[M+NH4]+ 192.138283 152.7
[M+K]+ 213.067618 139.6
[M+H-H2O]+ 157.101720 128.5
[M+HCOO]- 219.102661 152.8
[M+CH3COO]- 233.118311 183.6
[M+Na-2H]- 195.079126 138.7
[M]+ 174.10391142 127.8
[M]- 174.10500858 127.8
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

No patent data available for this compound.