CID 54280705

6,7,8,9-tetrahydro-5h-benzo[7]annulene-5-carbaldehyde

Structural Information

Molecular Formula
C12H14O
SMILES
C1CCC2=CC=CC=C2C(C1)C=O
InChI
InChI=1S/C12H14O/c13-9-11-7-2-1-5-10-6-3-4-8-12(10)11/h3-4,6,8-9,11H,1-2,5,7H2
InChIKey
RQORLPGPBSEBHQ-UHFFFAOYSA-N
Compound name
6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

174.10446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 133.0
[M+Na]+ 197.093678 138.2
[M-H]- 173.097184 138.3
[M+NH4]+ 192.138283 153.0
[M+K]+ 213.067618 139.3
[M+H-H2O]+ 157.101720 129.0
[M+HCOO]- 219.102661 153.5
[M+CH3COO]- 233.118311 182.6
[M+Na-2H]- 195.079126 140.0
[M]+ 174.10391142 128.1
[M]- 174.10500858 128.1
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