CID 13413786

18019-17-5

Structural Information

Molecular Formula
C11H14N2
SMILES
C1CC2CNC3=CC=CC=C3N2C1
InChI
InChI=1S/C11H14N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-2,5-6,9,12H,3-4,7-8H2
InChIKey
IZAIOGMVPVWOKY-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

17
Patents

174.11569 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.122966 137.6
[M+Na]+ 197.104908 144.4
[M-H]- 173.108414 138.1
[M+NH4]+ 192.149513 158.1
[M+K]+ 213.078848 139.9
[M+H-H2O]+ 157.112950 130.2
[M+HCOO]- 219.113891 153.5
[M+CH3COO]- 233.129541 149.2
[M+Na-2H]- 195.090356 143.8
[M]+ 174.11514142 131.7
[M]- 174.11623858 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe