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

12
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 135.9
[M+Na]+ 172.10967 143.9
[M-H]- 148.11317 136.6
[M+NH4]+ 167.15427 155.4
[M+K]+ 188.08361 142.0
[M+H-H2O]+ 132.11771 124.8
[M+HCOO]- 194.11865 153.8
[M+CH3COO]- 208.13430 191.6
[M+Na-2H]- 170.09512 138.7
[M]+ 149.11990 131.0
[M]- 149.12100 131.0
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