CID 20838858

4-methyldodecene-1-nitrile

Structural Information

Molecular Formula
C13H23N
SMILES
CCCCCCCCC(C)/C=C/C#N
InChI
InChI=1S/C13H23N/c1-3-4-5-6-7-8-10-13(2)11-9-12-14/h9,11,13H,3-8,10H2,1-2H3/b11-9+
InChIKey
MXRVPBVPWKZJCS-PKNBQFBNSA-N
Compound name
(E)-4-methyldodec-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

193.18304 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 148.6
[M+Na]+ 216.17226 158.0
[M+NH4]+ 211.21686 152.7
[M+K]+ 232.14620 147.7
[M-H]- 192.17576 141.4
[M+Na-2H]- 214.15771 149.2
[M]+ 193.18249 146.9
[M]- 193.18359 146.9
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

No patent data available for this compound.