CID 68159401

Tert-butyl n-(4-oxo-3,4-dihydro-2h-1-benzopyran-6-yl)carbamate

Structural Information

Molecular Formula
C14H17NO4
SMILES
CC(C)(C)OC(=O)NC1=CC2=C(C=C1)OCCC2=O
InChI
InChI=1S/C14H17NO4/c1-14(2,3)19-13(17)15-9-4-5-12-10(8-9)11(16)6-7-18-12/h4-5,8H,6-7H2,1-3H3,(H,15,17)
InChIKey
MPYOJWISFVDHSC-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-oxo-2,3-dihydrochromen-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.11575 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 158.2
[M+Na]+ 286.10497 164.5
[M-H]- 262.10847 163.1
[M+NH4]+ 281.14957 174.5
[M+K]+ 302.07891 164.2
[M+H-H2O]+ 246.11301 152.0
[M+HCOO]- 308.11395 176.9
[M+CH3COO]- 322.12960 197.8
[M+Na-2H]- 284.09042 164.8
[M]+ 263.11520 159.5
[M]- 263.11630 159.5
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