CID 118062574

5-methylspiro[2.3]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1(CC2(C1)CC2)C(=O)O
InChI
InChI=1S/C8H12O2/c1-7(6(9)10)4-8(5-7)2-3-8/h2-5H2,1H3,(H,9,10)
InChIKey
MJZHXLHJKQJUCY-UHFFFAOYSA-N
Compound name
5-methylspiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 133.7
[M+Na]+ 163.07294 141.0
[M+NH4]+ 158.11754 141.5
[M+K]+ 179.04688 136.2
[M-H]- 139.07644 139.1
[M+Na-2H]- 161.05839 140.9
[M]+ 140.08317 136.5
[M]- 140.08427 136.5
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

patents stripe