CID 247906

Undecanedinitrile

Structural Information

Molecular Formula
C11H18N2
SMILES
C(CCCCC#N)CCCCC#N
InChI
InChI=1S/C11H18N2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-9H2
InChIKey
ISIQQQYKUPBYSL-UHFFFAOYSA-N
Compound name
undecanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1345
Patents

178.147 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.154276 146.3
[M+Na]+ 201.136218 154.3
[M-H]- 177.139724 148.3
[M+NH4]+ 196.180823 160.0
[M+K]+ 217.110158 152.3
[M+H-H2O]+ 161.144260 132.0
[M+HCOO]- 223.145201 158.7
[M+CH3COO]- 237.160851 216.6
[M+Na-2H]- 199.121666 149.2
[M]+ 178.14645142 140.7
[M]- 178.14754858 140.7
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

patents stripe