CID 145087

2,3-diethyl-2,3-dimethylbutanedinitrile

Structural Information

Molecular Formula
C10H16N2
SMILES
CCC(C)(C#N)C(C)(CC)C#N
InChI
InChI=1S/C10H16N2/c1-5-9(3,7-11)10(4,6-2)8-12/h5-6H2,1-4H3
InChIKey
YPKRPUBUHLHYRJ-UHFFFAOYSA-N
Compound name
2,3-diethyl-2,3-dimethylbutanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

612
Patents

164.13135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.13863 154.5
[M+Na]+ 187.12057 162.8
[M-H]- 163.12407 157.0
[M+NH4]+ 182.16517 168.5
[M+K]+ 203.09451 162.1
[M+H-H2O]+ 147.12861 140.9
[M+HCOO]- 209.12955 164.8
[M+CH3COO]- 223.14520 215.1
[M+Na-2H]- 185.10602 157.3
[M]+ 164.13080 147.7
[M]- 164.13190 147.7
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