CID 16740533

887590-25-2

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: 95
Patents: 234.13683 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.14411	154.6
[M+Na]+	257.12605	165.8
[M+NH4]+	252.17065	161.7
[M+K]+	273.09999	160.6
[M-H]-	233.12955	154.5
[M+Na-2H]-	255.11150	158.9
[M]+	234.13628	156.0
[M]-	234.13738	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe