CID 23423440

25090-43-1

Structural Information

Molecular Formula
C9H12O4
SMILES
COC(=O)C12CCCC1(C2)C(=O)O
InChI
InChI=1S/C9H12O4/c1-13-7(12)9-4-2-3-8(9,5-9)6(10)11/h2-5H2,1H3,(H,10,11)
InChIKey
AHQQVZSBPREFJH-UHFFFAOYSA-N
Compound name
5-methoxycarbonylbicyclo[3.1.0]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 141.2
[M+Na]+ 207.06278 150.5
[M-H]- 183.06628 145.3
[M+NH4]+ 202.10738 161.6
[M+K]+ 223.03672 149.3
[M+H-H2O]+ 167.07082 138.7
[M+HCOO]- 229.07176 160.0
[M+CH3COO]- 243.08741 179.8
[M+Na-2H]- 205.04823 146.6
[M]+ 184.07301 145.0
[M]- 184.07411 145.0
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