CID 110232

72906-57-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

162.10312 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.11040 136.6
[M+Na]+ 185.09234 146.2
[M-H]- 161.09584 141.5
[M+NH4]+ 180.13694 155.3
[M+K]+ 201.06628 139.5
[M+H-H2O]+ 145.10038 126.4
[M+HCOO]- 207.10132 160.1
[M+CH3COO]- 221.11697 192.9
[M+Na-2H]- 183.07779 145.4
[M]+ 162.10257 131.2
[M]- 162.10367 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

patents stripe