CID 84819161

2101206-27-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

139.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 125.4
[M+Na]+ 162.06377 133.6
[M-H]- 138.06727 127.3
[M+NH4]+ 157.10837 145.4
[M+K]+ 178.03771 133.0
[M+H-H2O]+ 122.07181 118.5
[M+HCOO]- 184.07275 145.8
[M+CH3COO]- 198.08840 138.9
[M+Na-2H]- 160.04922 133.2
[M]+ 139.07400 122.7
[M]- 139.07510 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