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]+ 194.19032 146.5
[M+Na]+ 216.17226 153.3
[M-H]- 192.17576 146.6
[M+NH4]+ 211.21686 164.5
[M+K]+ 232.14620 150.8
[M+H-H2O]+ 176.18030 134.8
[M+HCOO]- 238.18124 164.3
[M+CH3COO]- 252.19689 200.4
[M+Na-2H]- 214.15771 149.3
[M]+ 193.18249 144.1
[M]- 193.18359 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.