CID 11030622

Rac-n-[(1r,2s)-2-hydroxy-2,3-dihydro-1h-inden-1-yl]acetamide

Structural Information

Molecular Formula
C11H13NO2
SMILES
CC(=O)N[C@@H]1[C@@H](CC2=CC=CC=C12)O
InChI
InChI=1S/C11H13NO2/c1-7(13)12-11-9-5-3-2-4-8(9)6-10(11)14/h2-5,10-11,14H,6H2,1H3,(H,12,13)/t10-,11+/m1/s1
InChIKey
XDFQDTUZWKSCIR-MNOVXSKESA-N
Compound name
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

191.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10192 140.4
[M+Na]+ 214.08386 147.8
[M-H]- 190.08736 143.9
[M+NH4]+ 209.12846 162.1
[M+K]+ 230.05780 145.0
[M+H-H2O]+ 174.09190 135.2
[M+HCOO]- 236.09284 162.7
[M+CH3COO]- 250.10849 183.0
[M+Na-2H]- 212.06931 144.7
[M]+ 191.09409 138.8
[M]- 191.09519 138.8
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