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

3
Patents

198.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.09648 138.2
[M+Na]+ 221.07842 141.3
[M-H]- 197.08192 142.1
[M+NH4]+ 216.12302 145.2
[M+K]+ 237.05236 146.5
[M+H-H2O]+ 181.08646 125.1
[M+HCOO]- 243.08740 153.7
[M+CH3COO]- 257.10305 193.7
[M+Na-2H]- 219.06387 140.5
[M]+ 198.08865 153.7
[M]- 198.08975 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