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
2
Annotation Hits

0
References

29
Patents

220.14499 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.152266 151.5
[M+Na]+ 243.134208 160.0
[M-H]- 219.137714 157.2
[M+NH4]+ 238.178813 168.7
[M+K]+ 259.108148 154.3
[M+H-H2O]+ 203.142250 140.3
[M+HCOO]- 265.143191 174.8
[M+CH3COO]- 279.158841 206.0
[M+Na-2H]- 241.119656 158.3
[M]+ 220.14444142 149.4
[M]- 220.14553858 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