CID 19156

Brn 2354098

Structural Information

Molecular Formula
C12H24N2
SMILES
CC(C)C(CCN(C)C)(C#N)C(C)C
InChI
InChI=1S/C12H24N2/c1-10(2)12(9-13,11(3)4)7-8-14(5)6/h10-11H,7-8H2,1-6H3
InChIKey
QAKIPJGCSIWOQM-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-3-methyl-2-propan-2-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.19395 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.20123 150.9
[M+Na]+ 219.18317 156.9
[M-H]- 195.18667 152.5
[M+NH4]+ 214.22777 168.9
[M+K]+ 235.15711 157.5
[M+H-H2O]+ 179.19121 139.1
[M+HCOO]- 241.19215 167.6
[M+CH3COO]- 255.20780 207.7
[M+Na-2H]- 217.16862 152.5
[M]+ 196.19340 147.9
[M]- 196.19450 147.9
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.