CID 14434478

4-(methoxycarbonyl)bicyclo[2.1.1]hexane-1-carboxylic acid

Structural Information

Molecular Formula
C9H12O4
SMILES
COC(=O)C12CCC(C1)(C2)C(=O)O
InChI
InChI=1S/C9H12O4/c1-13-7(12)9-3-2-8(4-9,5-9)6(10)11/h2-5H2,1H3,(H,10,11)
InChIKey
YXVUNUBFPAVHRP-UHFFFAOYSA-N
Compound name
4-methoxycarbonylbicyclo[2.1.1]hexane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

184.07356 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 139.4
[M+Na]+ 207.06278 140.7
[M+NH4]+ 202.10738 146.0
[M+K]+ 223.03672 139.3
[M-H]- 183.06628 132.3
[M+Na-2H]- 205.04823 136.2
[M]+ 184.07301 136.2
[M]- 184.07411 136.2
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