CID 6438053

3,6-octadienenitrile, 3,7-dimethyl-, (3e)-

Structural Information

Molecular Formula
C10H15N
SMILES
CC(=CC/C=C(\C)/CC#N)C
InChI
InChI=1S/C10H15N/c1-9(2)5-4-6-10(3)7-8-11/h5-6H,4,7H2,1-3H3/b10-6+
InChIKey
LNWFHUTYUOYNBG-UXBLZVDNSA-N
Compound name
(3E)-3,7-dimethylocta-3,6-dienenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
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 136.8
[M+Na]+ 172.10967 146.4
[M+NH4]+ 167.15427 141.0
[M+K]+ 188.08361 137.4
[M-H]- 148.11317 129.2
[M+Na-2H]- 170.09512 137.7
[M]+ 149.11990 135.0
[M]- 149.12100 135.0
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

patents stripe