CID 137964656

2229196-57-8

Structural Information

Molecular Formula
C10H14O3
SMILES
COC(=O)CC1CC(=O)C12CCC2
InChI
InChI=1S/C10H14O3/c1-13-9(12)6-7-5-8(11)10(7)3-2-4-10/h7H,2-6H2,1H3
InChIKey
TXKRVKWQIXGLNP-UHFFFAOYSA-N
Compound name
methyl 2-(3-oxospiro[3.3]heptan-1-yl)acetate
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 130.9
[M+Na]+ 205.08352 135.3
[M-H]- 181.08702 136.4
[M+NH4]+ 200.12812 139.6
[M+K]+ 221.05746 140.2
[M+H-H2O]+ 165.09156 118.3
[M+HCOO]- 227.09250 148.9
[M+CH3COO]- 241.10815 193.3
[M+Na-2H]- 203.06897 135.3
[M]+ 182.09375 147.7
[M]- 182.09485 147.7
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

No patent data available for this compound.