CID 16740533

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

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC(C)(C)OC(=O)N1CCNC2=CC=CC=C21
InChI
InChI=1S/C13H18N2O2/c1-13(2,3)17-12(16)15-9-8-14-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3
InChIKey
DXXFPGTUHSMYSG-UHFFFAOYSA-N
Compound name
tert-butyl 3,4-dihydro-2H-quinoxaline-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

234.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 156.0
[M+Na]+ 257.126048 162.2
[M-H]- 233.129554 155.8
[M+NH4]+ 252.170653 171.6
[M+K]+ 273.099988 159.2
[M+H-H2O]+ 217.134090 148.8
[M+HCOO]- 279.135031 170.1
[M+CH3COO]- 293.150681 187.9
[M+Na-2H]- 255.111496 161.7
[M]+ 234.13628142 153.6
[M]- 234.13737858 153.6
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