CID 232840

2,3-dihydro-1h-indene-4-carboxylic acid

Structural Information

Molecular Formula
C10H10O2
SMILES
C1CC2=C(C1)C(=CC=C2)C(=O)O
InChI
InChI=1S/C10H10O2/c11-10(12)9-6-2-4-7-3-1-5-8(7)9/h2,4,6H,1,3,5H2,(H,11,12)
InChIKey
QJQQSHWSGOMJDZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

162.06808 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.07536 132.5
[M+Na]+ 185.05730 140.3
[M-H]- 161.06080 135.8
[M+NH4]+ 180.10190 155.4
[M+K]+ 201.03124 137.7
[M+H-H2O]+ 145.06534 127.7
[M+HCOO]- 207.06628 154.1
[M+CH3COO]- 221.08193 174.6
[M+Na-2H]- 183.04275 137.6
[M]+ 162.06753 130.9
[M]- 162.06863 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe