CID 13928496

Spiro[2.4]heptane-5-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC2(CC2)CC1C(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)6-1-2-8(5-6)3-4-8/h6H,1-5H2,(H,9,10)
InChIKey
IIPOHIIXHDZIAO-UHFFFAOYSA-N
Compound name
spiro[2.4]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

140.08372 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.6
[M+Na]+ 163.07294 138.2
[M-H]- 139.07644 134.9
[M+NH4]+ 158.11754 149.3
[M+K]+ 179.04688 136.3
[M+H-H2O]+ 123.08098 125.4
[M+HCOO]- 185.08192 150.0
[M+CH3COO]- 199.09757 172.8
[M+Na-2H]- 161.05839 134.5
[M]+ 140.08317 129.0
[M]- 140.08427 129.0
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

patents stripe