CID 5097905

1,1-dimethyl-n-tert-octylpropargylamine

Structural Information

Molecular Formula
C13H25N
SMILES
CC(C)(C)CC(C)(C)NC(C)(C)C#C
InChI
InChI=1S/C13H25N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h1,14H,10H2,2-8H3
InChIKey
VFJXALVCGOCHNF-UHFFFAOYSA-N
Compound name
2,4,4-trimethyl-N-(2-methylbut-3-yn-2-yl)pentan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.1987 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.20598 150.0
[M+Na]+ 218.18792 158.2
[M+NH4]+ 213.23252 153.5
[M+K]+ 234.16186 151.0
[M-H]- 194.19142 141.1
[M+Na-2H]- 216.17337 150.3
[M]+ 195.19815 147.9
[M]- 195.19925 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.