CID 135705428

1h-imidazolium, 1-((cyclopentyloxy)methyl)-2-((hydroxyimino)methyl)-3-methyl-, 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 151.0
[M+Na]+ 247.12913 157.5
[M-H]- 223.13263 155.4
[M+NH4]+ 242.17373 169.5
[M+K]+ 263.10307 150.3
[M+H-H2O]+ 207.13717 145.6
[M+HCOO]- 269.13811 173.8
[M+CH3COO]- 283.15376 182.2
[M+Na-2H]- 245.11458 155.4
[M]+ 224.13936 149.5
[M]- 224.14046 149.5
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.