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
2
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 136.7
[M+Na]+ 172.10967 146.3
[M+NH4]+ 167.15427 140.8
[M+K]+ 188.08361 137.7
[M-H]- 148.11317 128.8
[M+Na-2H]- 170.09512 137.8
[M]+ 149.11990 134.9
[M]- 149.12100 134.9
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