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]+ 292.15434 166.1
[M+Na]+ 314.13628 173.5
[M-H]- 290.13978 171.4
[M+NH4]+ 309.18088 183.7
[M+K]+ 330.11022 173.2
[M+H-H2O]+ 274.14432 160.6
[M+HCOO]- 336.14526 184.1
[M+CH3COO]- 350.16091 204.7
[M+Na-2H]- 312.12173 172.5
[M]+ 291.14651 169.0
[M]- 291.14761 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