CID 6441547

3,7-dimethyl-3,7-octadienenitrile

Structural Information

Molecular Formula
C10H15N
SMILES
CC(=C)CC/C=C(\C)/CC#N
InChI
InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h6H,1,4-5,7H2,2-3H3/b10-6+
InChIKey
HXWCEYZTTHUVCC-UXBLZVDNSA-N
Compound name
(3E)-3,7-dimethylocta-3,7-dienenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.12045 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.12773 136.6
[M+Na]+ 172.10967 146.3
[M+NH4]+ 167.15427 140.8
[M+K]+ 188.08361 137.2
[M-H]- 148.11317 129.1
[M+Na-2H]- 170.09512 137.5
[M]+ 149.11990 134.8
[M]- 149.12100 134.8
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.