CID 96856672

(2s)-2-{5h,6h,8h-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-yl}pyrrolidine dihydrochloride

Structural Information

Molecular Formula
C9H14N4O
SMILES
C1C[C@@H](NC1)C2=NN=C3N2CCOC3
InChI
InChI=1S/C9H14N4O/c1-2-7(10-3-1)9-12-11-8-6-14-5-4-13(8)9/h7,10H,1-6H2/t7-/m1/s1
InChIKey
ZZJOLQOSXLRWBS-SSDOTTSWSA-N
Compound name
3-[(2R)-pyrrolidin-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 142.5
[M+Na]+ 217.10598 149.0
[M-H]- 193.10948 143.4
[M+NH4]+ 212.15058 158.5
[M+K]+ 233.07992 147.2
[M+H-H2O]+ 177.11402 133.4
[M+HCOO]- 239.11496 156.6
[M+CH3COO]- 253.13061 153.3
[M+Na-2H]- 215.09143 145.1
[M]+ 194.11621 137.2
[M]- 194.11731 137.2
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.