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]+ 168.174676 141.8
[M+Na]+ 190.156618 149.4
[M-H]- 166.160124 142.6
[M+NH4]+ 185.201223 160.9
[M+K]+ 206.130558 148.5
[M+H-H2O]+ 150.164660 131.0
[M+HCOO]- 212.165601 158.6
[M+CH3COO]- 226.181251 196.1
[M+Na-2H]- 188.142066 145.8
[M]+ 167.16685142 138.8
[M]- 167.16794858 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.