CID 105514894

Tert-butyl n-[(4-hydroxy-2,3-dihydro-1h-inden-1-yl)methyl]carbamate

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC(C)(C)OC(=O)NCC1CCC2=C1C=CC=C2O
InChI
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-9-10-7-8-12-11(10)5-4-6-13(12)17/h4-6,10,17H,7-9H2,1-3H3,(H,16,18)
InChIKey
FFHNIVQUZNOODQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 162.6
[M+Na]+ 286.141348 168.6
[M-H]- 262.144854 165.6
[M+NH4]+ 281.185953 181.5
[M+K]+ 302.115288 166.0
[M+H-H2O]+ 246.149390 157.3
[M+HCOO]- 308.150331 182.1
[M+CH3COO]- 322.165981 196.3
[M+Na-2H]- 284.126796 165.8
[M]+ 263.15158142 163.2
[M]- 263.15267858 163.2
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.