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]+ 209.11588 145.8
[M+Na]+ 231.09782 154.5
[M-H]- 207.10132 147.3
[M+NH4]+ 226.14242 163.7
[M+K]+ 247.07176 146.1
[M+H-H2O]+ 191.10586 141.1
[M+HCOO]- 253.10680 170.0
[M+CH3COO]- 267.12245 179.8
[M+Na-2H]- 229.08327 152.8
[M]+ 208.10805 147.0
[M]- 208.10915 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.