CID 20767963

1-(methoxycarbonyl)spiro[2.3]hexane-1-carboxylic acid

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

56
Patents

184.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 141.7
[M+Na]+ 207.062778 149.2
[M-H]- 183.066284 147.4
[M+NH4]+ 202.107383 153.8
[M+K]+ 223.036718 151.6
[M+H-H2O]+ 167.070820 134.4
[M+HCOO]- 229.071761 159.9
[M+CH3COO]- 243.087411 183.9
[M+Na-2H]- 205.048226 147.0
[M]+ 184.07301142 153.4
[M]- 184.07410858 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