CID 14958326

1378746-32-7

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

C1CC2CC1CC2(CC(=O)O)O

InChI

InChI=1S/C9H14O3/c10-8(11)5-9(12)4-6-1-2-7(9)3-6/h6-7,12H,1-5H2,(H,10,11)

InChIKey

IVGZHAOAAATSEE-UHFFFAOYSA-N

Compound name

2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.0943 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	171.10158	139.2
[M+Na]+	193.08352	146.1
[M-H]-	169.08702	139.4
[M+NH4]+	188.12812	165.2
[M+K]+	209.05746	143.7
[M+H-H2O]+	153.09156	136.4
[M+HCOO]-	215.09250	157.2
[M+CH3COO]-	229.10815	173.1
[M+Na-2H]-	191.06897	142.3
[M]+	170.09375	137.0
[M]-	170.09485	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe