CID 170456240

(3r)-3-amino-6-(aminomethyl)-3,4-dihydropyran-2-one

Structural Information

Molecular Formula
C6H10N2O2
SMILES
C1C=C(OC(=O)[C@@H]1N)CN
InChI
InChI=1S/C6H10N2O2/c7-3-4-1-2-5(8)6(9)10-4/h1,5H,2-3,7-8H2/t5-/m1/s1
InChIKey
YNICVSYSEOADEO-RXMQYKEDSA-N
Compound name
(3R)-3-amino-6-(aminomethyl)-3,4-dihydropyran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.07423 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.081506 128.1
[M+Na]+ 165.063448 135.2
[M-H]- 141.066954 131.7
[M+NH4]+ 160.108053 147.5
[M+K]+ 181.037388 134.9
[M+H-H2O]+ 125.071490 122.4
[M+HCOO]- 187.072431 151.2
[M+CH3COO]- 201.088081 177.0
[M+Na-2H]- 163.048896 133.9
[M]+ 142.07368142 124.1
[M]- 142.07477858 124.1
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.