CID 105392

2,6-nonadienenitrile

Structural Information

Molecular Formula
C9H13N
SMILES
CCC=CCCC=CC#N
InChI
InChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h3-4,7-8H,2,5-6H2,1H3
InChIKey
DSOXXQLCMAEPEZ-UHFFFAOYSA-N
Compound name
nona-2,6-dienenitrile
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

383
Patents

135.1048 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.11208 129.2
[M+Na]+ 158.09402 138.0
[M-H]- 134.09752 129.9
[M+NH4]+ 153.13862 149.3
[M+K]+ 174.06796 135.6
[M+H-H2O]+ 118.10206 118.2
[M+HCOO]- 180.10300 149.2
[M+CH3COO]- 194.11865 187.4
[M+Na-2H]- 156.07947 135.0
[M]+ 135.10425 125.3
[M]- 135.10535 125.3
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