CID 138032328

2241140-72-5

Structural Information

Molecular Formula
C12H16N2O
SMILES
C1CO[C@H]([C@@H]1N)C2=CN=CC(=C2)C3CC3
InChI
InChI=1S/C12H16N2O/c13-11-3-4-15-12(11)10-5-9(6-14-7-10)8-1-2-8/h5-8,11-12H,1-4,13H2/t11-,12+/m1/s1
InChIKey
ATKZVOPNKPQZJW-NEPJUHHUSA-N
Compound name
(2S,3R)-2-(5-cyclopropylpyridin-3-yl)oxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.12627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.13355 143.0
[M+Na]+ 227.11549 151.5
[M-H]- 203.11899 152.2
[M+NH4]+ 222.16009 155.9
[M+K]+ 243.08943 148.7
[M+H-H2O]+ 187.12353 135.4
[M+HCOO]- 249.12447 164.8
[M+CH3COO]- 263.14012 155.6
[M+Na-2H]- 225.10094 147.0
[M]+ 204.12572 142.3
[M]- 204.12682 142.3
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.