CID 84071504

Decahydro-1h-benzo[7]annulene-4a-carboxylic acid

Structural Information

Molecular Formula
C12H20O2
SMILES
C1CCC2CCCCC2(CC1)C(=O)O
InChI
InChI=1S/C12H20O2/c13-11(14)12-8-4-1-2-6-10(12)7-3-5-9-12/h10H,1-9H2,(H,13,14)
InChIKey
FODRHLZXIXQSEX-UHFFFAOYSA-N
Compound name
1,2,3,4,5,6,7,8,9,9a-decahydrobenzo[7]annulene-4a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.14633 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.153606 142.8
[M+Na]+ 219.135548 144.2
[M-H]- 195.139054 145.4
[M+NH4]+ 214.180153 162.3
[M+K]+ 235.109488 145.3
[M+H-H2O]+ 179.143590 138.4
[M+HCOO]- 241.144531 156.6
[M+CH3COO]- 255.160181 182.5
[M+Na-2H]- 217.120996 146.6
[M]+ 196.14578142 132.5
[M]- 196.14687858 132.5
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.