CID 21116291

Ns00045538

Structural Information

Molecular Formula
C9H12N3
SMILES
CCNC1=C(C=C(C=C1)C)[N+]#N
InChI
InChI=1S/C9H12N3/c1-3-11-8-5-4-7(2)6-9(8)12-10/h4-6,11H,3H2,1-2H3/q+1
InChIKey
WSXBITZHDGHHQD-UHFFFAOYSA-N
Compound name
2-(ethylamino)-5-methylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

162.10312 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.110396 136.6
[M+Na]+ 185.092338 146.2
[M-H]- 161.095844 141.5
[M+NH4]+ 180.136943 155.3
[M+K]+ 201.066278 139.5
[M+H-H2O]+ 145.100380 126.4
[M+HCOO]- 207.101321 160.1
[M+CH3COO]- 221.116971 192.9
[M+Na-2H]- 183.077786 145.4
[M]+ 162.10257142 131.2
[M]- 162.10366858 131.2
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.