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 179.4
[M+Na]+ 343.30837 182.4
[M-H]- 319.31187 177.8
[M+NH4]+ 338.35297 192.4
[M+K]+ 359.28231 177.8
[M+H-H2O]+ 303.31641 165.7
[M+HCOO]- 365.31735 196.5
[M+CH3COO]- 379.33300 225.5
[M+Na-2H]- 341.29382 179.7
[M]+ 320.31860 179.5
[M]- 320.31970 179.5
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

patents stripe