CID 145874265

1877095-81-2

Structural Information

Molecular Formula
C11H21N
SMILES
CCN(CCC#C)CC(C)(C)C
InChI
InChI=1S/C11H21N/c1-6-8-9-12(7-2)10-11(3,4)5/h1H,7-10H2,2-5H3
InChIKey
LOCDFPWAGCZHJS-UHFFFAOYSA-N
Compound name
N-but-3-ynyl-N-ethyl-2,2-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.1674 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.17468 141.8
[M+Na]+ 190.15662 149.4
[M-H]- 166.16012 142.6
[M+NH4]+ 185.20122 160.9
[M+K]+ 206.13056 148.5
[M+H-H2O]+ 150.16466 131.0
[M+HCOO]- 212.16560 158.6
[M+CH3COO]- 226.18125 196.1
[M+Na-2H]- 188.14207 145.8
[M]+ 167.16685 138.8
[M]- 167.16795 138.8
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.