CID 110156

68400-18-0

Structural Information

Molecular Formula
C14H21N2O2S
SMILES
CCCCSC1=C(C=C(C(=C1)OCC)[N+]#N)OCC
InChI
InChI=1S/C14H21N2O2S/c1-4-7-8-19-14-10-12(17-5-2)11(16-15)9-13(14)18-6-3/h9-10H,4-8H2,1-3H3/q+1
InChIKey
MXVSOZAJCVPRPO-UHFFFAOYSA-N
Compound name
4-butylsulfanyl-2,5-diethoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1324 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.13968 164.9
[M+Na]+ 304.12162 174.2
[M-H]- 280.12512 170.1
[M+NH4]+ 299.16622 180.6
[M+K]+ 320.09556 166.9
[M+H-H2O]+ 264.12966 154.0
[M+HCOO]- 326.13060 181.6
[M+CH3COO]- 340.14625 210.0
[M+Na-2H]- 302.10707 168.3
[M]+ 281.13185 166.5
[M]- 281.13295 166.5
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.