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 143.8
[M+Na]+ 227.10292 154.6
[M-H]- 203.10642 147.3
[M+NH4]+ 222.14752 163.4
[M+K]+ 243.07686 146.0
[M+H-H2O]+ 187.11096 139.6
[M+HCOO]- 249.11190 167.4
[M+CH3COO]- 263.12755 182.5
[M+Na-2H]- 225.08837 152.2
[M]+ 204.11315 145.6
[M]- 204.11425 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.