CID 165844420

2408968-74-9

Structural Information

Molecular Formula
C9H12O2
SMILES
C1CC12CC23CC(C3)C(=O)O
InChI
InChI=1S/C9H12O2/c10-7(11)6-3-9(4-6)5-8(9)1-2-8/h6H,1-5H2,(H,10,11)
InChIKey
QPIZVEAXLVBUNM-UHFFFAOYSA-N
Compound name
dispiro[2.0.34.13]octane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09100 144.1
[M+Na]+ 175.07294 151.1
[M-H]- 151.07644 151.5
[M+NH4]+ 170.11754 151.8
[M+K]+ 191.04688 154.0
[M+H-H2O]+ 135.08098 137.8
[M+HCOO]- 197.08192 159.7
[M+CH3COO]- 211.09757 189.8
[M+Na-2H]- 173.05839 148.9
[M]+ 152.08317 154.1
[M]- 152.08427 154.1
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

No patent data available for this compound.