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]+ 173.128466 138.9
[M+Na]+ 195.110408 143.2
[M-H]- 171.113914 137.1
[M+NH4]+ 190.155013 156.3
[M+K]+ 211.084348 142.0
[M+H-H2O]+ 155.118450 132.0
[M+HCOO]- 217.119391 150.3
[M+CH3COO]- 231.135041 148.9
[M+Na-2H]- 193.095856 146.5
[M]+ 172.12064142 131.2
[M]- 172.12173858 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.