CID 6438051

(z)-3-(9-octadecenylamino)propiononitrile

Structural Information

Molecular Formula
C21H40N2
SMILES
CCCCCCCC/C=C\CCCCCCCCNCCC#N
InChI
InChI=1S/C21H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,23H,2-8,11-18,20-21H2,1H3/b10-9-
InChIKey
WFWQUQYVEYXMPO-KTKRTIGZSA-N
Compound name
3-[[(Z)-octadec-9-enyl]amino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

320.31915 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.32643 185.4
[M+Na]+ 343.30837 192.4
[M+NH4]+ 338.35297 187.9
[M+K]+ 359.28231 180.0
[M-H]- 319.31187 178.1
[M+Na-2H]- 341.29382 184.0
[M]+ 320.31860 183.2
[M]- 320.31970 183.2
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