CID 166453015

Methyl 6-formylspiro[3.3]heptane-2-carboxylate

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)C1CC2(C1)CC(C2)C=O
InChI
InChI=1S/C10H14O3/c1-13-9(12)8-4-10(5-8)2-7(3-10)6-11/h6-8H,2-5H2,1H3
InChIKey
NMZGKUNKDGMICG-UHFFFAOYSA-N
Compound name
methyl 6-formylspiro[3.3]heptane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 146.2
[M+Na]+ 205.08352 146.9
[M+NH4]+ 200.12812 147.1
[M+K]+ 221.05746 144.4
[M-H]- 181.08702 141.9
[M+Na-2H]- 203.06897 145.9
[M]+ 182.09375 142.8
[M]- 182.09485 142.8
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.