CID 28409949

51773-44-5

Structural Information

Molecular Formula
C8H16N2
SMILES
C1CC[C@H]2[C@H](C1)NCCN2
InChI
InChI=1S/C8H16N2/c1-2-4-8-7(3-1)9-5-6-10-8/h7-10H,1-6H2/t7-,8-/m0/s1
InChIKey
MDEXMBGPIZUUBI-YUMQZZPRSA-N
Compound name
(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

140.13135 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 132.8
[M+Na]+ 163.12057 136.0
[M-H]- 139.12407 129.9
[M+NH4]+ 158.16517 150.7
[M+K]+ 179.09451 132.6
[M+H-H2O]+ 123.12861 125.7
[M+HCOO]- 185.12955 144.6
[M+CH3COO]- 199.14520 142.5
[M+Na-2H]- 161.10602 138.6
[M]+ 140.13080 121.1
[M]- 140.13190 121.1
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