CID 135705428

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

Structural Information

Molecular Formula
C11H18N3O2
SMILES
C[N+]1=C(N(C=C1)COC2CCCC2)/C=N/O
InChI
InChI=1S/C11H17N3O2/c1-13-6-7-14(11(13)8-12-15)9-16-10-4-2-3-5-10/h6-8,10H,2-5,9H2,1H3/p+1
InChIKey
XBPNDGFNMLHXIW-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(cyclopentyloxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.13991 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.14719 149.5
[M+Na]+ 247.12913 160.3
[M+NH4]+ 242.17373 157.5
[M+K]+ 263.10307 159.3
[M-H]- 223.13263 152.6
[M+Na-2H]- 245.11458 154.9
[M]+ 224.13936 151.8
[M]- 224.14046 151.8
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.