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]+ 165.102236 129.1
[M+Na]+ 187.084178 134.1
[M-H]- 163.087684 134.5
[M+NH4]+ 182.128783 140.1
[M+K]+ 203.058118 136.8
[M+H-H2O]+ 147.092220 116.3
[M+HCOO]- 209.093161 151.0
[M+CH3COO]- 223.108811 182.3
[M+Na-2H]- 185.069626 138.4
[M]+ 164.09441142 136.6
[M]- 164.09550858 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.