CID 137943272

2287272-46-0

Structural Information

Molecular Formula
C8H12O3
SMILES
CC12CC(C1)(CO2)CC(=O)O
InChI
InChI=1S/C8H12O3/c1-7-3-8(4-7,5-11-7)2-6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
YNNYFDZQOPNHNW-UHFFFAOYSA-N
Compound name
2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 129.1
[M+Na]+ 179.06786 131.8
[M+NH4]+ 174.11246 136.9
[M+K]+ 195.04180 130.1
[M-H]- 155.07136 124.4
[M+Na-2H]- 177.05331 126.9
[M]+ 156.07809 127.0
[M]- 156.07919 127.0
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

No patent data available for this compound.