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

7
Patents

188.13135 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.138626 147.4
[M+Na]+ 211.120568 155.5
[M-H]- 187.124074 150.7
[M+NH4]+ 206.165173 159.8
[M+K]+ 227.094508 150.3
[M+H-H2O]+ 171.128610 138.9
[M+HCOO]- 233.129551 164.5
[M+CH3COO]- 247.145201 158.1
[M+Na-2H]- 209.106016 153.8
[M]+ 188.13080142 144.7
[M]- 188.13189858 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