CID 135705414

1-((cyclododecyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C18H32N3O2
SMILES
C[N+]1=C(N(C=C1)COC2CCCCCCCCCCC2)/C=N/O
InChI
InChI=1S/C18H31N3O2/c1-20-13-14-21(18(20)15-19-22)16-23-17-11-9-7-5-3-2-4-6-8-10-12-17/h13-15,17H,2-12,16H2,1H3/p+1
InChIKey
PJIDMGPVMNZSQC-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(cyclododecyloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.24945 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.25673 176.6
[M+Na]+ 345.23867 186.4
[M+NH4]+ 340.28327 183.0
[M+K]+ 361.21261 182.2
[M-H]- 321.24217 180.9
[M+Na-2H]- 343.22412 182.0
[M]+ 322.24890 178.8
[M]- 322.25000 178.8
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.