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]+ 175.11174 133.0
[M+Na]+ 197.09368 138.2
[M-H]- 173.09718 138.3
[M+NH4]+ 192.13828 153.0
[M+K]+ 213.06762 139.3
[M+H-H2O]+ 157.10172 129.0
[M+HCOO]- 219.10266 153.5
[M+CH3COO]- 233.11831 182.6
[M+Na-2H]- 195.07913 140.0
[M]+ 174.10391 128.1
[M]- 174.10501 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