CID 73994659

Tert-butyl 3-methyl-1,2,3,4-tetrahydroquinoxaline-1-carboxylate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1CN(C2=CC=CC=C2N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H20N2O2/c1-10-9-16(13(17)18-14(2,3)4)12-8-6-5-7-11(12)15-10/h5-8,10,15H,9H2,1-4H3
InChIKey
AIXCZIKNYFXGSQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

248.15248 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.159756 160.5
[M+Na]+ 271.141698 167.2
[M-H]- 247.145204 160.5
[M+NH4]+ 266.186303 175.8
[M+K]+ 287.115638 164.0
[M+H-H2O]+ 231.149740 153.4
[M+HCOO]- 293.150681 174.2
[M+CH3COO]- 307.166331 192.1
[M+Na-2H]- 269.127146 165.0
[M]+ 248.15193142 158.9
[M]- 248.15302858 158.9
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