CID 573950

3-(tert-octylamino)propionitrile

Structural Information

Molecular Formula
C11H22N2
SMILES
CC(C)(C)CC(C)(C)NCCC#N
InChI
InChI=1S/C11H22N2/c1-10(2,3)9-11(4,5)13-8-6-7-12/h13H,6,8-9H2,1-5H3
InChIKey
NJRROXHFUFARLU-UHFFFAOYSA-N
Compound name
3-(2,4,4-trimethylpentan-2-ylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1783 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.18558 146.6
[M+Na]+ 205.16752 154.7
[M+NH4]+ 200.21212 150.4
[M+K]+ 221.14146 146.8
[M-H]- 181.17102 138.9
[M+Na-2H]- 203.15297 147.5
[M]+ 182.17775 144.7
[M]- 182.17885 144.7
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

No patent data available for this compound.