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

24
Patents

247.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 156.3
[M+Na]+ 270.11007 163.5
[M-H]- 246.11357 161.0
[M+NH4]+ 265.15467 176.6
[M+K]+ 286.08401 161.4
[M+H-H2O]+ 230.11811 151.1
[M+HCOO]- 292.11905 177.9
[M+CH3COO]- 306.13470 194.9
[M+Na-2H]- 268.09552 160.5
[M]+ 247.12030 157.7
[M]- 247.12140 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