CID 16244592

1-(cyclopropylmethyl)-1,2,3,4-tetrahydroquinoxaline

Structural Information

Molecular Formula
C12H16N2
SMILES
C1CC1CN2CCNC3=CC=CC=C32
InChI
InChI=1S/C12H16N2/c1-2-4-12-11(3-1)13-7-8-14(12)9-10-5-6-10/h1-4,10,13H,5-9H2
InChIKey
HGXGFCJGLXEFMB-UHFFFAOYSA-N
Compound name
4-(cyclopropylmethyl)-2,3-dihydro-1H-quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

188.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.13863 147.4
[M+Na]+ 211.12057 155.5
[M-H]- 187.12407 150.7
[M+NH4]+ 206.16517 159.8
[M+K]+ 227.09451 150.3
[M+H-H2O]+ 171.12861 138.9
[M+HCOO]- 233.12955 164.5
[M+CH3COO]- 247.14520 158.1
[M+Na-2H]- 209.10602 153.8
[M]+ 188.13080 144.7
[M]- 188.13190 144.7
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