CID 132327159

2137765-66-1

Structural Information

Molecular Formula
C8H16N2O2
SMILES
C1CN2CCOCC2(CN1)CO
InChI
InChI=1S/C8H16N2O2/c11-6-8-5-9-1-2-10(8)3-4-12-7-8/h9,11H,1-7H2
InChIKey
AZEQAZNLNHAZCD-UHFFFAOYSA-N
Compound name
3,4,6,7,8,9-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-9a-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 138.9
[M+Na]+ 195.11041 143.2
[M-H]- 171.11391 137.1
[M+NH4]+ 190.15501 156.3
[M+K]+ 211.08435 142.0
[M+H-H2O]+ 155.11845 132.0
[M+HCOO]- 217.11939 150.3
[M+CH3COO]- 231.13504 148.9
[M+Na-2H]- 193.09586 146.5
[M]+ 172.12064 131.2
[M]- 172.12174 131.2
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

No patent data available for this compound.