CID 22833409

Ivqusohauzaydu-uhfffaoysa-n

Structural Information

Molecular Formula
C19H38N2O
SMILES
CCC(CC)CCCCCCCCOCCCNCCC#N
InChI
InChI=1S/C19H38N2O/c1-3-19(4-2)13-9-7-5-6-8-10-17-22-18-12-16-21-15-11-14-20/h19,21H,3-13,15-18H2,1-2H3
InChIKey
IVQUSOHAUZAYDU-UHFFFAOYSA-N
Compound name
3-[3-(9-ethylundecoxy)propylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2984 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.305676 176.1
[M+Na]+ 333.287618 179.1
[M-H]- 309.291124 174.7
[M+NH4]+ 328.332223 189.3
[M+K]+ 349.261558 176.5
[M+H-H2O]+ 293.295660 162.5
[M+HCOO]- 355.296601 192.9
[M+CH3COO]- 369.312251 223.9
[M+Na-2H]- 331.273066 176.2
[M]+ 310.29785142 176.8
[M]- 310.29894858 176.8
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.