CID 122552

32508-22-8

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC1(CC2CCC1C2)C(=O)O

InChI

InChI=1S/C9H14O2/c1-9(8(10)11)5-6-2-3-7(9)4-6/h6-7H,2-5H2,1H3,(H,10,11)

InChIKey

JZKREHRYLBOJRP-UHFFFAOYSA-N

Compound name

2-methylbicyclo[2.2.1]heptane-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 269
Patents: 154.09938 Da
Monoisotopic Mass: 2.2
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]+	155.106656	135.9
[M+Na]+	177.088598	143.3
[M-H]-	153.092104	137.5
[M+NH4]+	172.133203	163.3
[M+K]+	193.062538	141.3
[M+H-H2O]+	137.096640	132.9
[M+HCOO]-	199.097581	155.2
[M+CH3COO]-	213.113231	173.6
[M+Na-2H]-	175.074046	139.2
[M]+	154.09883142	134.0
[M]-	154.09992858	134.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe