CID 106494

68072-36-6

Structural Information

Molecular Formula
C12H18N3O2
SMILES
CCNC1=CC(=C(C=C1OCC)[N+]#N)OCC
InChI
InChI=1S/C12H18N3O2/c1-4-14-9-7-12(17-6-3)10(15-13)8-11(9)16-5-2/h7-8,14H,4-6H2,1-3H3/q+1
InChIKey
YSPQQLBKMQTHCY-UHFFFAOYSA-N
Compound name
2,5-diethoxy-4-(ethylamino)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.13991 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.14719 153.1
[M+Na]+ 259.12913 162.1
[M-H]- 235.13263 157.8
[M+NH4]+ 254.17373 169.3
[M+K]+ 275.10307 155.9
[M+H-H2O]+ 219.13717 142.2
[M+HCOO]- 281.13811 176.1
[M+CH3COO]- 295.15376 205.7
[M+Na-2H]- 257.11458 160.1
[M]+ 236.13936 151.5
[M]- 236.14046 151.5
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

No patent data available for this compound.