CID 135705456

1-((1'-hexyloxy)methyl)-2-((hydroxyimino)methyl)-3-methylimidazolium chloride

Structural Information

Molecular Formula
C12H22N3O2
SMILES
CCCCCCOCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C12H21N3O2/c1-3-4-5-6-9-17-11-15-8-7-14(2)12(15)10-13-16/h7-8,10H,3-6,9,11H2,1-2H3/p+1
InChIKey
GTAAATRYBZPXRU-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(hexoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.1712 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17848 157.0
[M+Na]+ 263.16042 164.1
[M-H]- 239.16392 158.0
[M+NH4]+ 258.20502 173.7
[M+K]+ 279.13436 156.5
[M+H-H2O]+ 223.16846 151.7
[M+HCOO]- 285.16940 180.1
[M+CH3COO]- 299.18505 188.6
[M+Na-2H]- 261.14587 162.9
[M]+ 240.17065 160.4
[M]- 240.17175 160.4
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.