CID 135705398

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

Structural Information

Molecular Formula
C10H14N3O2
SMILES
C[N+]1=C(N(C=C1)COCC=C=C)/C=N/O
InChI
InChI=1S/C10H13N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h4-6,8H,1,7,9H2,2H3/p+1
InChIKey
OKMAYVNEWDFFRA-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(buta-2,3-dienoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

208.1086 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.115876 145.8
[M+Na]+ 231.097818 154.5
[M-H]- 207.101324 147.3
[M+NH4]+ 226.142423 163.7
[M+K]+ 247.071758 146.1
[M+H-H2O]+ 191.105860 141.1
[M+HCOO]- 253.106801 170.0
[M+CH3COO]- 267.122451 179.8
[M+Na-2H]- 229.083266 152.8
[M]+ 208.10805142 147.0
[M]- 208.10914858 147.0
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.