CID 135705476

1h-imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((3-methyl-2-pentyl)oxy)methyl)-, chloride

Structural Information

Molecular Formula
C12H22N3O2
SMILES
CCC(C)C(C)OCN1C=C[N+](=C1/C=N/O)C
InChI
InChI=1S/C12H21N3O2/c1-5-10(2)11(3)17-9-15-7-6-14(4)12(15)8-13-16/h6-8,10-11H,5,9H2,1-4H3/p+1
InChIKey
RYXHWAQIUHASNX-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(3-methylpentan-2-yloxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.1712 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.17848 157.5
[M+Na]+ 263.16042 164.2
[M-H]- 239.16392 158.9
[M+NH4]+ 258.20502 174.1
[M+K]+ 279.13436 157.5
[M+H-H2O]+ 223.16846 152.6
[M+HCOO]- 285.16940 178.7
[M+CH3COO]- 299.18505 190.0
[M+Na-2H]- 261.14587 161.1
[M]+ 240.17065 159.6
[M]- 240.17175 159.6
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.