CID 23629403

954134-92-0

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC(C)(C)OC(=O)NCC1=CC2=C(C=C1)C(=O)CC2
InChI
InChI=1S/C15H19NO3/c1-15(2,3)19-14(18)16-9-10-4-6-12-11(8-10)5-7-13(12)17/h4,6,8H,5,7,9H2,1-3H3,(H,16,18)
InChIKey
XSXYYZQXIQYNBK-UHFFFAOYSA-N
Compound name
tert-butyl N-[(1-oxo-2,3-dihydroinden-5-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 161.0
[M+Na]+ 284.12572 167.8
[M-H]- 260.12922 165.5
[M+NH4]+ 279.17032 180.7
[M+K]+ 300.09966 165.5
[M+H-H2O]+ 244.13376 155.6
[M+HCOO]- 306.13470 182.3
[M+CH3COO]- 320.15035 197.9
[M+Na-2H]- 282.11117 164.7
[M]+ 261.13595 162.8
[M]- 261.13705 162.8
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.