CID 75355410

1535338-19-2

Structural Information

Molecular Formula
C6H10N4O
SMILES
C1COCC2=NN=C(N21)CN
InChI
InChI=1S/C6H10N4O/c7-3-5-8-9-6-4-11-2-1-10(5)6/h1-4,7H2
InChIKey
MHOICHGGHLYUIK-UHFFFAOYSA-N
Compound name
6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazin-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.08546 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.09274 130.3
[M+Na]+ 177.07468 138.5
[M-H]- 153.07818 130.7
[M+NH4]+ 172.11928 148.2
[M+K]+ 193.04862 137.7
[M+H-H2O]+ 137.08272 122.3
[M+HCOO]- 199.08366 149.3
[M+CH3COO]- 213.09931 143.0
[M+Na-2H]- 175.06013 137.8
[M]+ 154.08491 128.0
[M]- 154.08601 128.0
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.