CID 72326867

2-octenenitrile, 3,5,7-trimethyl-

Structural Information

Molecular Formula
C11H19N
SMILES
CC(C)CC(C)CC(=CC#N)C
InChI
InChI=1S/C11H19N/c1-9(2)7-11(4)8-10(3)5-6-12/h5,9,11H,7-8H2,1-4H3
InChIKey
XVHLRCQZSUEKKE-UHFFFAOYSA-N
Compound name
3,5,7-trimethyloct-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

165.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.159026 141.0
[M+Na]+ 188.140968 148.0
[M-H]- 164.144474 141.5
[M+NH4]+ 183.185573 159.8
[M+K]+ 204.114908 146.8
[M+H-H2O]+ 148.149010 129.7
[M+HCOO]- 210.149951 157.5
[M+CH3COO]- 224.165601 196.5
[M+Na-2H]- 186.126416 142.2
[M]+ 165.15120142 136.6
[M]- 165.15229858 136.6
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

patents stripe