CID 92135483

1113001-63-0

Structural Information

Molecular Formula
C9H12O4
SMILES
COC(=O)C12CC(C1)(C2)CC(=O)O
InChI
InChI=1S/C9H12O4/c1-13-7(12)9-3-8(4-9,5-9)2-6(10)11/h2-5H2,1H3,(H,10,11)
InChIKey
LUHZDMKRIAUCOY-UHFFFAOYSA-N
Compound name
2-(3-methoxycarbonyl-1-bicyclo[1.1.1]pentanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

184.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 161.1
[M+Na]+ 207.06278 163.5
[M-H]- 183.06628 162.9
[M+NH4]+ 202.10738 165.9
[M+K]+ 223.03672 169.8
[M+H-H2O]+ 167.07082 148.2
[M+HCOO]- 229.07176 171.8
[M+CH3COO]- 243.08741 207.4
[M+Na-2H]- 205.04823 165.2
[M]+ 184.07301 186.5
[M]- 184.07411 186.5
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