CID 86277731

1779133-54-8

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1CN2C(=CC(=N2)N)OC1
InChI
InChI=1S/C6H9N3O/c7-5-4-6-9(8-5)2-1-3-10-6/h4H,1-3H2,(H2,7,8)
InChIKey
CRAAVDCTMCOCNX-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

139.07455 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 125.4
[M+Na]+ 162.063768 133.6
[M-H]- 138.067274 127.3
[M+NH4]+ 157.108373 145.4
[M+K]+ 178.037708 133.0
[M+H-H2O]+ 122.071810 118.5
[M+HCOO]- 184.072751 145.8
[M+CH3COO]- 198.088401 138.9
[M+Na-2H]- 160.049216 133.2
[M]+ 139.07400142 122.7
[M]- 139.07509858 122.7
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

patents stripe