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]+ 175.11174 132.4
[M+Na]+ 197.09368 138.4
[M-H]- 173.09718 138.0
[M+NH4]+ 192.13828 152.7
[M+K]+ 213.06762 139.6
[M+H-H2O]+ 157.10172 128.5
[M+HCOO]- 219.10266 152.8
[M+CH3COO]- 233.11831 183.6
[M+Na-2H]- 195.07913 138.7
[M]+ 174.10391 127.8
[M]- 174.10501 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.