CID 85034

24858-54-6

Structural Information

Molecular Formula
C9H12N3O
SMILES
CN(CCO)C1=CC=C(C=C1)[N+]#N
InChI
InChI=1S/C9H12N3O/c1-12(6-7-13)9-4-2-8(11-10)3-5-9/h2-5,13H,6-7H2,1H3/q+1
InChIKey
AUVJBAFMBDUKMJ-UHFFFAOYSA-N
Compound name
4-[2-hydroxyethyl(methyl)amino]benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

178.09804 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10532 140.7
[M+Na]+ 201.08726 149.1
[M-H]- 177.09076 145.2
[M+NH4]+ 196.13186 158.4
[M+K]+ 217.06120 143.2
[M+H-H2O]+ 161.09530 130.0
[M+HCOO]- 223.09624 163.4
[M+CH3COO]- 237.11189 194.3
[M+Na-2H]- 199.07271 148.9
[M]+ 178.09749 135.5
[M]- 178.09859 135.5
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

patents stripe