CID 84261

1h-indene-3-carboxylic acid

Structural Information

Molecular Formula
C10H8O2
SMILES
C1C=C(C2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C10H8O2/c11-10(12)9-6-5-7-3-1-2-4-8(7)9/h1-4,6H,5H2,(H,11,12)
InChIKey
NZSCUDBGUBVDLO-UHFFFAOYSA-N
Compound name
3H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

215
Patents

160.05243 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05971 130.8
[M+Na]+ 183.04165 139.7
[M-H]- 159.04515 134.6
[M+NH4]+ 178.08625 153.9
[M+K]+ 199.01559 136.9
[M+H-H2O]+ 143.04969 126.0
[M+HCOO]- 205.05063 153.9
[M+CH3COO]- 219.06628 174.2
[M+Na-2H]- 181.02710 136.9
[M]+ 160.05188 130.7
[M]- 160.05298 130.7
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