CID 68508

584-59-8

Structural Information

Molecular Formula
C12H18N3O
SMILES
CCN(CC)C1=CC(=C(C=C1)[N+]#N)OCC
InChI
InChI=1S/C12H18N3O/c1-4-15(5-2)10-7-8-11(14-13)12(9-10)16-6-3/h7-9H,4-6H2,1-3H3/q+1
InChIKey
KGEXJTVKNZBZGS-UHFFFAOYSA-N
Compound name
4-(diethylamino)-2-ethoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

220.14499 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15227 151.5
[M+Na]+ 243.13421 160.0
[M-H]- 219.13771 157.2
[M+NH4]+ 238.17881 168.7
[M+K]+ 259.10815 154.3
[M+H-H2O]+ 203.14225 140.3
[M+HCOO]- 265.14319 174.8
[M+CH3COO]- 279.15884 206.0
[M+Na-2H]- 241.11966 158.3
[M]+ 220.14444 149.4
[M]- 220.14554 149.4
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