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

19
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

literature stripe

Patent stripe

patents stripe