CID 233810

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

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC(C2=CC=CC=C21)(C(=O)O)N
InChI
InChI=1S/C10H11NO2/c11-10(9(12)13)6-5-7-3-1-2-4-8(7)10/h1-4H,5-6,11H2,(H,12,13)
InChIKey
HTTPGMNPPMMMOP-UHFFFAOYSA-N
Compound name
1-amino-2,3-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

750
Patents

177.07898 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 136.6
[M+Na]+ 200.06820 144.6
[M-H]- 176.07170 139.7
[M+NH4]+ 195.11280 160.3
[M+K]+ 216.04214 141.6
[M+H-H2O]+ 160.07624 132.1
[M+HCOO]- 222.07718 158.6
[M+CH3COO]- 236.09283 178.4
[M+Na-2H]- 198.05365 142.2
[M]+ 177.07843 133.7
[M]- 177.07953 133.7
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