CID 17039340

Cis-1-amino-indan-2-carboxylic acid

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1[C@H]([C@H](C2=CC=CC=C21)N)C(=O)O
InChI
InChI=1S/C10H11NO2/c11-9-7-4-2-1-3-6(7)5-8(9)10(12)13/h1-4,8-9H,5,11H2,(H,12,13)/t8-,9+/m1/s1
InChIKey
DNDUYUYIRYKACW-BDAKNGLRSA-N
Compound name
(1R,2R)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

177.07898 Da
Monoisotopic Mass

-1.3
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

literature stripe

Patent stripe

patents stripe