CID 10057580

Spiro[2.4]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CCC2(C1)CC2C(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)6-5-8(6)3-1-2-4-8/h6H,1-5H2,(H,9,10)
InChIKey
XYWFMXZFOVJDHK-UHFFFAOYSA-N
Compound name
spiro[2.4]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

140.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.6
[M+Na]+ 163.072938 138.2
[M-H]- 139.076444 134.9
[M+NH4]+ 158.117543 149.3
[M+K]+ 179.046878 136.3
[M+H-H2O]+ 123.080980 125.4
[M+HCOO]- 185.081921 150.0
[M+CH3COO]- 199.097571 172.8
[M+Na-2H]- 161.058386 134.5
[M]+ 140.08317142 129.0
[M]- 140.08426858 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