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 152.8
[M+Na]+ 221.07842 152.2
[M+NH4]+ 216.12302 152.6
[M+K]+ 237.05236 150.9
[M-H]- 197.08192 147.3
[M+Na-2H]- 219.06387 150.9
[M]+ 198.08865 148.7
[M]- 198.08975 148.7
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