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

9
Patents

184.07356 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 141.2
[M+Na]+ 207.062778 150.5
[M-H]- 183.066284 145.3
[M+NH4]+ 202.107383 161.6
[M+K]+ 223.036718 149.3
[M+H-H2O]+ 167.070820 138.7
[M+HCOO]- 229.071761 160.0
[M+CH3COO]- 243.087411 179.8
[M+Na-2H]- 205.048226 146.6
[M]+ 184.07301142 145.0
[M]- 184.07410858 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