CID 361358

Nsc624384

Structural Information

Molecular Formula
C11H14O3
SMILES
C1CCC2=C(C1)C(CCC2=O)C(=O)O
InChI
InChI=1S/C11H14O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h9H,1-6H2,(H,13,14)
InChIKey
PEPDJWVHADLIQY-UHFFFAOYSA-N
Compound name
4-oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.2
[M+Na]+ 217.08352 145.6
[M-H]- 193.08702 142.5
[M+NH4]+ 212.12812 159.7
[M+K]+ 233.05746 143.3
[M+H-H2O]+ 177.09156 134.8
[M+HCOO]- 239.09250 156.6
[M+CH3COO]- 253.10815 181.3
[M+Na-2H]- 215.06897 143.6
[M]+ 194.09375 135.0
[M]- 194.09485 135.0
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.