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]+ 153.090996 144.1
[M+Na]+ 175.072938 151.1
[M-H]- 151.076444 151.5
[M+NH4]+ 170.117543 151.8
[M+K]+ 191.046878 154.0
[M+H-H2O]+ 135.080980 137.8
[M+HCOO]- 197.081921 159.7
[M+CH3COO]- 211.097571 189.8
[M+Na-2H]- 173.058386 148.9
[M]+ 152.08317142 154.1
[M]- 152.08426858 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.