CID 165764682

2803855-77-6

Structural Information

Molecular Formula
C9H12O4
SMILES
COC(=O)C12CC(C1)CC2C(=O)O
InChI
InChI=1S/C9H12O4/c1-13-8(12)9-3-5(4-9)2-6(9)7(10)11/h5-6H,2-4H2,1H3,(H,10,11)
InChIKey
PPJYUMHOATYICA-UHFFFAOYSA-N
Compound name
1-methoxycarbonylbicyclo[2.1.1]hexane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 148.4
[M+Na]+ 207.062778 153.7
[M-H]- 183.066284 148.4
[M+NH4]+ 202.107383 169.7
[M+K]+ 223.036718 155.5
[M+H-H2O]+ 167.070820 142.6
[M+HCOO]- 229.071761 163.9
[M+CH3COO]- 243.087411 183.8
[M+Na-2H]- 205.048226 153.0
[M]+ 184.07301142 161.8
[M]- 184.07410858 161.8
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.