CID 19102309

103385-82-6

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1(C2CC(C1C(=O)O)C=C2)C

InChI

InChI=1S/C10H14O2/c1-10(2)7-4-3-6(5-7)8(10)9(11)12/h3-4,6-8H,5H2,1-2H3,(H,11,12)

InChIKey

QHSZLQWSPNQNKD-UHFFFAOYSA-N

Compound name

3,3-dimethylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 166.09938 Da
Monoisotopic Mass: 2.0
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]+	167.106656	137.4
[M+Na]+	189.088598	146.3
[M-H]-	165.092104	139.7
[M+NH4]+	184.133203	164.8
[M+K]+	205.062538	143.9
[M+H-H2O]+	149.096640	134.7
[M+HCOO]-	211.097581	157.9
[M+CH3COO]-	225.113231	177.4
[M+Na-2H]-	187.074046	140.7
[M]+	166.09883142	137.7
[M]-	166.09992858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe