CID 104424

10-undecenenitrile

Structural Information

Molecular Formula
C11H19N
SMILES
C=CCCCCCCCCC#N
InChI
InChI=1S/C11H19N/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-10H2
InChIKey
NRZJSHMHHFWKBV-UHFFFAOYSA-N
Compound name
undec-10-enenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

336
Patents

165.15175 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.15903 136.7
[M+Na]+ 188.14097 144.3
[M-H]- 164.14447 137.0
[M+NH4]+ 183.18557 155.7
[M+K]+ 204.11491 142.0
[M+H-H2O]+ 148.14901 125.3
[M+HCOO]- 210.14995 156.0
[M+CH3COO]- 224.16560 194.9
[M+Na-2H]- 186.12642 141.7
[M]+ 165.15120 134.3
[M]- 165.15230 134.3
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