CID 165885854

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

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC(C)(C)OC(=O)N[C@@H]1CC2=CC=CC=C2[C@@H]1O
InChI
InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-11-8-9-6-4-5-7-10(9)12(11)16/h4-7,11-12,16H,8H2,1-3H3,(H,15,17)/t11-,12+/m1/s1
InChIKey
TTXFEHDFXRQYFE-NEPJUHHUSA-N
Compound name
tert-butyl N-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 157.9
[M+Na]+ 272.12571 164.4
[M-H]- 248.12921 161.1
[M+NH4]+ 267.17031 177.4
[M+K]+ 288.09965 162.0
[M+H-H2O]+ 232.13375 152.8
[M+HCOO]- 294.13469 177.7
[M+CH3COO]- 308.15034 193.3
[M+Na-2H]- 270.11116 161.6
[M]+ 249.13594 158.1
[M]- 249.13704 158.1
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.