CID 9588253

4-pyridinecarboxaldehyde, o-hexyloxime

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCCCCCO/N=C/C1=CC=NC=C1
InChI
InChI=1S/C12H18N2O/c1-2-3-4-5-10-15-14-11-12-6-8-13-9-7-12/h6-9,11H,2-5,10H2,1H3/b14-11+
InChIKey
SDNPWGIKSQZTRD-SDNWHVSQSA-N
Compound name
(E)-N-hexoxy-1-pyridin-4-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 147.6
[M+Na]+ 229.131118 153.6
[M-H]- 205.134624 150.4
[M+NH4]+ 224.175723 165.6
[M+K]+ 245.105058 151.6
[M+H-H2O]+ 189.139160 139.6
[M+HCOO]- 251.140101 172.9
[M+CH3COO]- 265.155751 191.0
[M+Na-2H]- 227.116566 155.1
[M]+ 206.14135142 150.9
[M]- 206.14244858 150.9
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.