CID 64678

Tetradecanenitrile

Structural Information

Molecular Formula
C14H27N
SMILES
CCCCCCCCCCCCCC#N
InChI
InChI=1S/C14H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-13H2,1H3
InChIKey
MLRCLPRHEOPXLL-UHFFFAOYSA-N
Compound name
tetradecanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

512
Patents

209.21436 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.22164 152.4
[M+Na]+ 232.20358 161.8
[M+NH4]+ 227.24818 156.7
[M+K]+ 248.17752 150.7
[M-H]- 208.20708 145.5
[M+Na-2H]- 230.18903 153.3
[M]+ 209.21381 150.8
[M]- 209.21491 150.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe