CID 165778788

5-(1,4-oxazepan-4-yl)pyridine-2-carbaldehyde

Structural Information

Molecular Formula
C11H14N2O2
SMILES
C1CN(CCOC1)C2=CN=C(C=C2)C=O
InChI
InChI=1S/C11H14N2O2/c14-9-10-2-3-11(8-12-10)13-4-1-6-15-7-5-13/h2-3,8-9H,1,4-7H2
InChIKey
GXLOANOWYNONFL-UHFFFAOYSA-N
Compound name
5-(1,4-oxazepan-4-yl)pyridine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 141.7
[M+Na]+ 229.09475 146.3
[M-H]- 205.09825 146.5
[M+NH4]+ 224.13935 155.1
[M+K]+ 245.06869 149.2
[M+H-H2O]+ 189.10279 133.0
[M+HCOO]- 251.10373 159.2
[M+CH3COO]- 265.11938 152.9
[M+Na-2H]- 227.08020 148.0
[M]+ 206.10498 136.5
[M]- 206.10608 136.5
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.