CID 135568361

Benzimidazolium, 2-acetyl-1,3-dimethyl-, iodide, oxime

Structural Information

Molecular Formula
C11H14N3O
SMILES
C/C(=N\O)/C1=[N+](C2=CC=CC=C2N1C)C
InChI
InChI=1S/C11H13N3O/c1-8(12-15)11-13(2)9-6-4-5-7-10(9)14(11)3/h4-7H,1-3H3/p+1
InChIKey
NAEFQGIUQAEMIY-UHFFFAOYSA-O
Compound name
(NE)-N-[1-(1,3-dimethylbenzimidazol-3-ium-2-yl)ethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1137 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.120976 143.8
[M+Na]+ 227.102918 154.6
[M-H]- 203.106424 147.3
[M+NH4]+ 222.147523 163.4
[M+K]+ 243.076858 146.0
[M+H-H2O]+ 187.110960 139.6
[M+HCOO]- 249.111901 167.4
[M+CH3COO]- 263.127551 182.5
[M+Na-2H]- 225.088366 152.2
[M]+ 204.11315142 145.6
[M]- 204.11424858 145.6
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.