CID 135705522

2-((hydroxyimino)methyl)-3-methyl-1-((2'-propyn-1'-yloxy)methyl)imidazolium chloride

Structural Information

Molecular Formula
C9H12N3O2
SMILES
C[N+]1=C(N(C=C1)COCC#C)/C=N/O
InChI
InChI=1S/C9H11N3O2/c1-3-6-14-8-12-5-4-11(2)9(12)7-10-13/h1,4-5,7H,6,8H2,2H3/p+1
InChIKey
YDSFJKHMJKIHDA-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-methyl-3-(prop-2-ynoxymethyl)imidazol-1-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

194.09296 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10024 140.3
[M+Na]+ 217.08218 150.4
[M-H]- 193.08568 139.9
[M+NH4]+ 212.12678 156.2
[M+K]+ 233.05612 143.0
[M+H-H2O]+ 177.09022 128.9
[M+HCOO]- 239.09116 158.2
[M+CH3COO]- 253.10681 186.3
[M+Na-2H]- 215.06763 146.3
[M]+ 194.09241 136.1
[M]- 194.09351 136.1
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.