CID 55278221

(1r)-1-amino-2,3-dihydro-1h-indene-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1CC2=C([C@@H]1N)C=CC=C2C(=O)O
InChI
InChI=1S/C10H11NO2/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-3,9H,4-5,11H2,(H,12,13)/t9-/m1/s1
InChIKey
VUTOUUUHDLJNEM-SECBINFHSA-N
Compound name
(1R)-1-amino-2,3-dihydro-1H-indene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 136.1
[M+Na]+ 200.06820 143.9
[M-H]- 176.07170 139.2
[M+NH4]+ 195.11280 158.0
[M+K]+ 216.04214 140.9
[M+H-H2O]+ 160.07624 131.1
[M+HCOO]- 222.07718 158.0
[M+CH3COO]- 236.09283 180.1
[M+Na-2H]- 198.05365 139.9
[M]+ 177.07843 133.2
[M]- 177.07953 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.