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

3
Patents

184.07356 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 161.1
[M+Na]+ 207.062778 163.5
[M-H]- 183.066284 162.9
[M+NH4]+ 202.107383 165.9
[M+K]+ 223.036718 169.8
[M+H-H2O]+ 167.070820 148.2
[M+HCOO]- 229.071761 171.8
[M+CH3COO]- 243.087411 207.4
[M+Na-2H]- 205.048226 165.2
[M]+ 184.07301142 186.5
[M]- 184.07410858 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