CID 12192007

181227-46-3

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1C(CC2=CC=CC=C21)[C@H](C(=O)O)N
InChI
InChI=1S/C11H13NO2/c12-10(11(13)14)9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6,12H2,(H,13,14)/t10-/m1/s1
InChIKey
GUDHMDVRURNAHL-SNVBAGLBSA-N
Compound name
(2R)-2-amino-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

373
Patents

191.09464 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 141.6
[M+Na]+ 214.08386 147.7
[M-H]- 190.08736 144.2
[M+NH4]+ 209.12846 162.5
[M+K]+ 230.05780 145.0
[M+H-H2O]+ 174.09190 136.2
[M+HCOO]- 236.09284 162.2
[M+CH3COO]- 250.10849 182.8
[M+Na-2H]- 212.06931 144.2
[M]+ 191.09409 138.0
[M]- 191.09519 138.0
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