CID 63622532

1340575-55-4

Structural Information

Molecular Formula
C9H12N2O
SMILES
C1C(CO1)NCC2=CC=NC=C2
InChI
InChI=1S/C9H12N2O/c1-3-10-4-2-8(1)5-11-9-6-12-7-9/h1-4,9,11H,5-7H2
InChIKey
RUZQGBVJIKPTDV-UHFFFAOYSA-N
Compound name
N-(pyridin-4-ylmethyl)oxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.10224 129.1
[M+Na]+ 187.08418 134.1
[M-H]- 163.08768 134.5
[M+NH4]+ 182.12878 140.1
[M+K]+ 203.05812 136.8
[M+H-H2O]+ 147.09222 116.3
[M+HCOO]- 209.09316 151.0
[M+CH3COO]- 223.10881 182.3
[M+Na-2H]- 185.06963 138.4
[M]+ 164.09441 136.6
[M]- 164.09551 136.6
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.