CID 75431851

1-cyclopropyl-8-methyl-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula
C12H16N2
SMILES
CC1=C2C(=CC=C1)NCCN2C3CC3
InChI
InChI=1S/C12H16N2/c1-9-3-2-4-11-12(9)14(8-7-13-11)10-5-6-10/h2-4,10,13H,5-8H2,1H3
InChIKey
VSJIFSLMUQAXHK-UHFFFAOYSA-N
Compound name
4-cyclopropyl-5-methyl-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

188.13135 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 147.8
[M+Na]+ 211.120568 156.8
[M-H]- 187.124074 151.6
[M+NH4]+ 206.165173 160.5
[M+K]+ 227.094508 151.6
[M+H-H2O]+ 171.128610 139.6
[M+HCOO]- 233.129551 164.9
[M+CH3COO]- 247.145201 158.9
[M+Na-2H]- 209.106016 153.5
[M]+ 188.13080142 145.6
[M]- 188.13189858 145.6
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