CID 84638947

Tert-butyl 7,8-dimethyl-1,2,3,4-tetrahydroquinoxaline-1-carboxylate

Structural Information

Molecular Formula
C15H22N2O2
SMILES
CC1=C(C2=C(C=C1)NCCN2C(=O)OC(C)(C)C)C
InChI
InChI=1S/C15H22N2O2/c1-10-6-7-12-13(11(10)2)17(9-8-16-12)14(18)19-15(3,4)5/h6-7,16H,8-9H2,1-5H3
InChIKey
AQUQEYNIRPYVSZ-UHFFFAOYSA-N
Compound name
tert-butyl 7,8-dimethyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.16812 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.17540 164.9
[M+Na]+ 285.15734 172.0
[M-H]- 261.16084 165.1
[M+NH4]+ 280.20194 180.0
[M+K]+ 301.13128 168.7
[M+H-H2O]+ 245.16538 157.9
[M+HCOO]- 307.16632 178.3
[M+CH3COO]- 321.18197 196.3
[M+Na-2H]- 283.14279 168.2
[M]+ 262.16757 164.0
[M]- 262.16867 164.0
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

No patent data available for this compound.