CID 4379475

Spiro[2.2]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C6H8O2
SMILES
C1CC12CC2C(=O)O
InChI
InChI=1S/C6H8O2/c7-5(8)4-3-6(4)1-2-6/h4H,1-3H2,(H,7,8)
InChIKey
WAHIIXTYAWFIFE-UHFFFAOYSA-N
Compound name
spiro[2.2]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

112.05243 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.05971 134.5
[M+Na]+ 135.04165 143.1
[M-H]- 111.04515 140.4
[M+NH4]+ 130.08625 146.8
[M+K]+ 151.01559 142.8
[M+H-H2O]+ 95.049690 130.6
[M+HCOO]- 157.05063 153.2
[M+CH3COO]- 171.06628 180.7
[M+Na-2H]- 133.02710 139.8
[M]+ 112.05188 137.9
[M]- 112.05298 137.9
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