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]+ 189.13863 147.8
[M+Na]+ 211.12057 156.8
[M-H]- 187.12407 151.6
[M+NH4]+ 206.16517 160.5
[M+K]+ 227.09451 151.6
[M+H-H2O]+ 171.12861 139.6
[M+HCOO]- 233.12955 164.9
[M+CH3COO]- 247.14520 158.9
[M+Na-2H]- 209.10602 153.5
[M]+ 188.13080 145.6
[M]- 188.13190 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