CID 67320755

1-cyclopropyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula

C₁₁H₁₄N₂

SMILES

C1CC1N2CCNC3=CC=CC=C32

InChI

InChI=1S/C11H14N2/c1-2-4-11-10(3-1)12-7-8-13(11)9-5-6-9/h1-4,9,12H,5-8H2

InChIKey

JVYGMSUBNDAILS-UHFFFAOYSA-N

Compound name

4-cyclopropyl-2,3-dihydro-1H-quinoxaline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 174.11569 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]+	175.12297	143.2
[M+Na]+	197.10491	151.8
[M-H]-	173.10841	146.8
[M+NH4]+	192.14951	156.2
[M+K]+	213.07885	146.8
[M+H-H2O]+	157.11295	135.0
[M+HCOO]-	219.11389	160.7
[M+CH3COO]-	233.12954	154.4
[M+Na-2H]-	195.09036	150.2
[M]+	174.11514	140.3
[M]-	174.11624	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe