CID 137935322

6-methoxyspiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
COC1CC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C9H14O3/c1-12-7-4-9(5-7)2-6(3-9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)
InChIKey
IDLBHZSKXGIUPP-UHFFFAOYSA-N
Compound name
2-methoxyspiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 129.7
[M+Na]+ 193.08352 133.7
[M-H]- 169.08702 134.0
[M+NH4]+ 188.12812 138.1
[M+K]+ 209.05746 138.5
[M+H-H2O]+ 153.09156 117.1
[M+HCOO]- 215.09250 146.4
[M+CH3COO]- 229.10815 189.7
[M+Na-2H]- 191.06897 133.9
[M]+ 170.09375 145.1
[M]- 170.09485 145.1
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

No patent data available for this compound.