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]+ 197.201226 150.9
[M+Na]+ 219.183168 156.9
[M-H]- 195.186674 152.5
[M+NH4]+ 214.227773 168.9
[M+K]+ 235.157108 157.5
[M+H-H2O]+ 179.191210 139.1
[M+HCOO]- 241.192151 167.6
[M+CH3COO]- 255.207801 207.7
[M+Na-2H]- 217.168616 152.5
[M]+ 196.19340142 147.9
[M]- 196.19449858 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.