CID 165934292

En300-22053176

Structural Information

Molecular Formula
C15H19NO4
SMILES
CC(C)(C)OC(=O)NCC1CC(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-10-8-12(17)11-6-4-5-7-13(11)19-10/h4-7,10H,8-9H2,1-3H3,(H,16,18)
InChIKey
WXOQRZLWPJTKLV-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-oxo-2,3-dihydrochromen-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1314 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 162.9
[M+Na]+ 300.12062 168.8
[M-H]- 276.12412 167.7
[M+NH4]+ 295.16522 178.6
[M+K]+ 316.09456 168.2
[M+H-H2O]+ 260.12866 156.5
[M+HCOO]- 322.12960 181.3
[M+CH3COO]- 336.14525 200.8
[M+Na-2H]- 298.10607 169.0
[M]+ 277.13085 164.6
[M]- 277.13195 164.6
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.