CID 105623

7-methyl-3-methylene-7-octenonitrile

Structural Information

Molecular Formula
C10H15N
SMILES
CC(=C)CCCC(=C)CC#N
InChI
InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h1,3-7H2,2H3
InChIKey
MDJZQTUFBAVTOG-UHFFFAOYSA-N
Compound name
7-methyl-3-methylideneoct-7-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.12045 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 135.3
[M+Na]+ 172.10967 143.1
[M-H]- 148.11317 135.9
[M+NH4]+ 167.15427 154.6
[M+K]+ 188.08361 141.2
[M+H-H2O]+ 132.11771 124.1
[M+HCOO]- 194.11865 153.1
[M+CH3COO]- 208.13430 192.8
[M+Na-2H]- 170.09512 138.1
[M]+ 149.11990 130.6
[M]- 149.12100 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.