CID 3017923

2-methyldecanenitrile

Structural Information

Molecular Formula
C11H21N
SMILES
CCCCCCCCC(C)C#N
InChI
InChI=1S/C11H21N/c1-3-4-5-6-7-8-9-11(2)10-12/h11H,3-9H2,1-2H3
InChIKey
XPCSGXMQGQGBKU-UHFFFAOYSA-N
Compound name
2-methyldecanenitrile
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1108
Patents

167.1674 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 138.6
[M+Na]+ 190.15662 145.7
[M-H]- 166.16012 138.9
[M+NH4]+ 185.20122 157.5
[M+K]+ 206.13056 144.4
[M+H-H2O]+ 150.16466 127.1
[M+HCOO]- 212.16560 156.8
[M+CH3COO]- 226.18125 196.5
[M+Na-2H]- 188.14207 142.3
[M]+ 167.16685 136.2
[M]- 167.16795 136.2
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