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]+ 207.14918 147.6
[M+Na]+ 229.13112 153.6
[M-H]- 205.13462 150.4
[M+NH4]+ 224.17572 165.6
[M+K]+ 245.10506 151.6
[M+H-H2O]+ 189.13916 139.6
[M+HCOO]- 251.14010 172.9
[M+CH3COO]- 265.15575 191.0
[M+Na-2H]- 227.11657 155.1
[M]+ 206.14135 150.9
[M]- 206.14245 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.