CID 172643026

Ttd96390

Structural Information

Molecular Formula
C5H10N2O2
SMILES
C1C2C(C(C1NN2)O)O
InChI
InChI=1S/C5H10N2O2/c8-4-2-1-3(5(4)9)7-6-2/h2-9H,1H2
InChIKey
PSUFNXONKRDRDK-UHFFFAOYSA-N
Compound name
2,3-diazabicyclo[2.2.1]heptane-5,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.07423 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.081506 127.6
[M+Na]+ 153.063448 135.2
[M-H]- 129.066954 122.8
[M+NH4]+ 148.108053 149.5
[M+K]+ 169.037388 132.1
[M+H-H2O]+ 113.071490 123.1
[M+HCOO]- 175.072431 142.0
[M+CH3COO]- 189.088081 139.1
[M+Na-2H]- 151.048896 130.6
[M]+ 130.07368142 121.3
[M]- 130.07477858 121.3
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.