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]+ 264.15941 162.6
[M+Na]+ 286.14135 168.6
[M-H]- 262.14485 165.6
[M+NH4]+ 281.18595 181.5
[M+K]+ 302.11529 166.0
[M+H-H2O]+ 246.14939 157.3
[M+HCOO]- 308.15033 182.1
[M+CH3COO]- 322.16598 196.3
[M+Na-2H]- 284.12680 165.8
[M]+ 263.15158 163.2
[M]- 263.15268 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.