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

5
Patents

165.15175 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.15903 141.0
[M+Na]+ 188.14097 148.0
[M-H]- 164.14447 141.5
[M+NH4]+ 183.18557 159.8
[M+K]+ 204.11491 146.8
[M+H-H2O]+ 148.14901 129.7
[M+HCOO]- 210.14995 157.5
[M+CH3COO]- 224.16560 196.5
[M+Na-2H]- 186.12642 142.2
[M]+ 165.15120 136.6
[M]- 165.15230 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