CID 64989513

1260666-02-1

Structural Information

Molecular Formula
C6H9N3O
SMILES
C1COCC2=C1N=C(N2)N
InChI
InChI=1S/C6H9N3O/c7-6-8-4-1-2-10-3-5(4)9-6/h1-3H2,(H3,7,8,9)
InChIKey
RURXZFAARVJQJG-UHFFFAOYSA-N
Compound name
3,4,6,7-tetrahydropyrano[3,4-d]imidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 125.9
[M+Na]+ 162.063768 133.7
[M-H]- 138.067274 126.5
[M+NH4]+ 157.108373 145.2
[M+K]+ 178.037708 132.2
[M+H-H2O]+ 122.071810 119.3
[M+HCOO]- 184.072751 144.9
[M+CH3COO]- 198.088401 138.8
[M+Na-2H]- 160.049216 133.2
[M]+ 139.07400142 121.4
[M]- 139.07509858 121.4
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.