CID 135705408

Wr 254416

Structural Information

Molecular Formula
C10H14N3O2
SMILES
C[N+]1=C(N(C=C1)COCCC#C)/C=N/O
InChI
InChI=1S/C10H13N3O2/c1-3-4-7-15-9-13-6-5-12(2)10(13)8-11-14/h1,5-6,8H,4,7,9H2,2H3/p+1
InChIKey
UPNRXCOKTCKGBI-UHFFFAOYSA-O
Compound name
(NE)-N-[[1-(but-3-ynoxymethyl)-3-methylimidazol-3-ium-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

208.1086 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.11588 144.1
[M+Na]+ 231.09782 155.8
[M+NH4]+ 226.14242 147.7
[M+K]+ 247.07176 149.6
[M-H]- 207.10132 137.4
[M+Na-2H]- 229.08327 146.2
[M]+ 208.10805 143.0
[M]- 208.10915 143.0
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.