CID 22713151

9-undecenenitrile, (9e)-

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C/C=C/CCCCCCCC#N

InChI

InChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h2-3H,4-10H2,1H3/b3-2+

InChIKey

RPLWLQJSZFPHGM-NSCUHMNNSA-N

Compound name

(E)-undec-9-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 183
Patents: 165.15175 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	166.15903	140.5
[M+Na]+	188.14097	150.5
[M+NH4]+	183.18557	145.0
[M+K]+	204.11491	139.9
[M-H]-	164.14447	133.5
[M+Na-2H]-	186.12642	141.9
[M]+	165.15120	139.0
[M]-	165.15230	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe