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]+ 207.112806 141.7
[M+Na]+ 229.094748 146.3
[M-H]- 205.098254 146.5
[M+NH4]+ 224.139353 155.1
[M+K]+ 245.068688 149.2
[M+H-H2O]+ 189.102790 133.0
[M+HCOO]- 251.103731 159.2
[M+CH3COO]- 265.119381 152.9
[M+Na-2H]- 227.080196 148.0
[M]+ 206.10498142 136.5
[M]- 206.10607858 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.