CID 135897702

1-dodecyl-4-formylpyridinium bromide oxime

Structural Information

Molecular Formula
C18H31N2O
SMILES
CCCCCCCCCCCC[N+]1=CC=C(C=C1)/C=N/O
InChI
InChI=1S/C18H30N2O/c1-2-3-4-5-6-7-8-9-10-11-14-20-15-12-18(13-16-20)17-19-21/h12-13,15-17H,2-11,14H2,1H3/p+1
InChIKey
YRZQUIJLTABVKH-UHFFFAOYSA-O
Compound name
(NE)-N-[(1-dodecylpyridin-1-ium-4-yl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.24365 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.25093 176.6
[M+Na]+ 314.23287 180.5
[M-H]- 290.23637 177.6
[M+NH4]+ 309.27747 190.5
[M+K]+ 330.20681 170.6
[M+H-H2O]+ 274.24091 170.7
[M+HCOO]- 336.24185 198.0
[M+CH3COO]- 350.25750 200.9
[M+Na-2H]- 312.21832 181.9
[M]+ 291.24310 179.3
[M]- 291.24420 179.3
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.