CID 135568361

Ra 3

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]+ 205.12098 141.4
[M+Na]+ 227.10292 156.5
[M+NH4]+ 222.14752 150.4
[M+K]+ 243.07686 152.9
[M-H]- 203.10642 144.7
[M+Na-2H]- 225.08837 148.4
[M]+ 204.11315 144.7
[M]- 204.11425 144.7
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.