CID 20767963

445306-40-1

Structural Information

Molecular Formula
C9H12O4
SMILES
COC(=O)C1(CC12CCC2)C(=O)O
InChI
InChI=1S/C9H12O4/c1-13-7(12)9(6(10)11)5-8(9)3-2-4-8/h2-5H2,1H3,(H,10,11)
InChIKey
SWEOSVRBADSQPS-UHFFFAOYSA-N
Compound name
2-methoxycarbonylspiro[2.3]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

184.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 141.7
[M+Na]+ 207.06278 149.2
[M-H]- 183.06628 147.4
[M+NH4]+ 202.10738 153.8
[M+K]+ 223.03672 151.6
[M+H-H2O]+ 167.07082 134.4
[M+HCOO]- 229.07176 159.9
[M+CH3COO]- 243.08741 183.9
[M+Na-2H]- 205.04823 147.0
[M]+ 184.07301 153.4
[M]- 184.07411 153.4
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