CID 25198943

Tert-butyl n-(1-oxo-2,3-dihydro-1h-inden-5-yl)carbamate

Structural Information

Molecular Formula
C14H17NO3
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)C(=O)CC2
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-10-5-6-11-9(8-10)4-7-12(11)16/h5-6,8H,4,7H2,1-3H3,(H,15,17)
InChIKey
NLSKWRYIEWXZBE-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-oxo-2,3-dihydroinden-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

247.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.128126 156.3
[M+Na]+ 270.110068 163.5
[M-H]- 246.113574 161.0
[M+NH4]+ 265.154673 176.6
[M+K]+ 286.084008 161.4
[M+H-H2O]+ 230.118110 151.1
[M+HCOO]- 292.119051 177.9
[M+CH3COO]- 306.134701 194.9
[M+Na-2H]- 268.095516 160.5
[M]+ 247.12030142 157.7
[M]- 247.12139858 157.7
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

patents stripe