CID 10827448

3,3'-(dodecylazanediyl)dipropanenitrile

Structural Information

Molecular Formula
C18H33N3
SMILES
CCCCCCCCCCCCN(CCC#N)CCC#N
InChI
InChI=1S/C18H33N3/c1-2-3-4-5-6-7-8-9-10-11-16-21(17-12-14-19)18-13-15-20/h2-13,16-18H2,1H3
InChIKey
YDOOYJZNFQGRCN-UHFFFAOYSA-N
Compound name
3-[2-cyanoethyl(dodecyl)amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

291.26746 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.27474 168.7
[M+Na]+ 314.25668 174.0
[M-H]- 290.26018 170.4
[M+NH4]+ 309.30128 179.4
[M+K]+ 330.23062 171.9
[M+H-H2O]+ 274.26472 152.9
[M+HCOO]- 336.26566 180.4
[M+CH3COO]- 350.28131 235.2
[M+Na-2H]- 312.24213 168.7
[M]+ 291.26691 164.9
[M]- 291.26801 164.9
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.