CID 10442709

6-(methoxycarbonyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C10H14O4
SMILES
COC(=O)C1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C10H14O4/c1-14-9(13)7-4-10(5-7)2-6(3-10)8(11)12/h6-7H,2-5H2,1H3,(H,11,12)
InChIKey
NNVZYAFUSDVQII-UHFFFAOYSA-N
Compound name
2-methoxycarbonylspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

198.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.096476 138.2
[M+Na]+ 221.078418 141.3
[M-H]- 197.081924 142.1
[M+NH4]+ 216.123023 145.2
[M+K]+ 237.052358 146.5
[M+H-H2O]+ 181.086460 125.1
[M+HCOO]- 243.087401 153.7
[M+CH3COO]- 257.103051 193.7
[M+Na-2H]- 219.063866 140.5
[M]+ 198.08865142 153.7
[M]- 198.08974858 153.7
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