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

17
Patents

149.12045 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.127726 135.9
[M+Na]+ 172.109668 143.9
[M-H]- 148.113174 136.6
[M+NH4]+ 167.154273 155.4
[M+K]+ 188.083608 142.0
[M+H-H2O]+ 132.117710 124.8
[M+HCOO]- 194.118651 153.8
[M+CH3COO]- 208.134301 191.6
[M+Na-2H]- 170.095116 138.7
[M]+ 149.11990142 131.0
[M]- 149.12099858 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