CID 3024858

4-hexenenitrile, 2-ethenyl-2,5-dimethyl-

Structural Information

Molecular Formula
C10H15N
SMILES
CC(=CCC(C)(C=C)C#N)C
InChI
InChI=1S/C10H15N/c1-5-10(4,8-11)7-6-9(2)3/h5-6H,1,7H2,2-4H3
InChIKey
LQOKMYRSZCREEC-UHFFFAOYSA-N
Compound name
2-ethenyl-2,5-dimethylhex-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8
Patents

149.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 137.2
[M+Na]+ 172.10967 145.6
[M-H]- 148.11317 138.1
[M+NH4]+ 167.15427 156.7
[M+K]+ 188.08361 143.8
[M+H-H2O]+ 132.11771 126.6
[M+HCOO]- 194.11865 154.5
[M+CH3COO]- 208.13430 191.6
[M+Na-2H]- 170.09512 141.4
[M]+ 149.11990 132.5
[M]- 149.12100 132.5
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