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

98
Patents

234.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.14411 156.0
[M+Na]+ 257.12605 162.2
[M-H]- 233.12955 155.8
[M+NH4]+ 252.17065 171.6
[M+K]+ 273.09999 159.2
[M+H-H2O]+ 217.13409 148.8
[M+HCOO]- 279.13503 170.1
[M+CH3COO]- 293.15068 187.9
[M+Na-2H]- 255.11150 161.7
[M]+ 234.13628 153.6
[M]- 234.13738 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