CID 68159359

1314406-17-1

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC1(CC(=O)C2=C(O1)C=CC(=C2)NC(=O)OC(C)(C)C)C
InChI
InChI=1S/C16H21NO4/c1-15(2,3)21-14(19)17-10-6-7-13-11(8-10)12(18)9-16(4,5)20-13/h6-8H,9H2,1-5H3,(H,17,19)
InChIKey
CSHUZZOEMAXPRY-UHFFFAOYSA-N
Compound name
tert-butyl N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.14706 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 166.1
[M+Na]+ 314.136278 173.5
[M-H]- 290.139784 171.4
[M+NH4]+ 309.180883 183.7
[M+K]+ 330.110218 173.2
[M+H-H2O]+ 274.144320 160.6
[M+HCOO]- 336.145261 184.1
[M+CH3COO]- 350.160911 204.7
[M+Na-2H]- 312.121726 172.5
[M]+ 291.14651142 169.0
[M]- 291.14760858 169.0
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