CID 20838858

93882-38-3

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]+ 194.190316 146.5
[M+Na]+ 216.172258 153.3
[M-H]- 192.175764 146.6
[M+NH4]+ 211.216863 164.5
[M+K]+ 232.146198 150.8
[M+H-H2O]+ 176.180300 134.8
[M+HCOO]- 238.181241 164.3
[M+CH3COO]- 252.196891 200.4
[M+Na-2H]- 214.157706 149.3
[M]+ 193.18249142 144.1
[M]- 193.18358858 144.1
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.