CID 109909

68239-64-5

Structural Information

Molecular Formula
C18H29N2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)[N+]#N
InChI
InChI=1S/C18H29N2/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(20-19)16-14-17/h13-16H,2-12H2,1H3/q+1
InChIKey
XOJXAFUMRPHLIB-UHFFFAOYSA-N
Compound name
4-dodecylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

273.23306 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.24034 169.3
[M+Na]+ 296.22228 175.8
[M-H]- 272.22578 172.6
[M+NH4]+ 291.26688 184.3
[M+K]+ 312.19622 166.6
[M+H-H2O]+ 256.23032 157.7
[M+HCOO]- 318.23126 189.4
[M+CH3COO]- 332.24691 212.1
[M+Na-2H]- 294.20773 174.4
[M]+ 273.23251 167.4
[M]- 273.23361 167.4
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