CID 6420241

Oleonitrile

Structural Information

Molecular Formula
C18H33N
SMILES
CCCCCCCC/C=C\CCCCCCCC#N
InChI
InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10H,2-8,11-17H2,1H3/b10-9-
InChIKey
UIAMCVSNZQYIQS-KTKRTIGZSA-N
Compound name
(Z)-octadec-9-enenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

557
Patents

263.2613 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.26858 164.2
[M+Na]+ 286.25052 169.3
[M-H]- 262.25402 163.3
[M+NH4]+ 281.29512 179.7
[M+K]+ 302.22446 165.2
[M+H-H2O]+ 246.25856 151.6
[M+HCOO]- 308.25950 181.5
[M+CH3COO]- 322.27515 213.2
[M+Na-2H]- 284.23597 165.8
[M]+ 263.26075 164.1
[M]- 263.26185 164.1
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