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 152.7
[M+Na]+ 259.12913 165.2
[M+NH4]+ 254.17373 157.7
[M+K]+ 275.10307 156.4
[M-H]- 235.13263 149.9
[M+Na-2H]- 257.11458 157.0
[M]+ 236.13936 153.1
[M]- 236.14046 153.1
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.