CID 63655020

(but-3-yn-1-yl)(2-methoxyethyl)methylamine

Structural Information

Molecular Formula
C8H15NO
SMILES
CN(CCC#C)CCOC
InChI
InChI=1S/C8H15NO/c1-4-5-6-9(2)7-8-10-3/h1H,5-8H2,2-3H3
InChIKey
BNTAOEVVNMFVTB-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-N-methylbut-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.11537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.12265 128.9
[M+Na]+ 164.10459 137.1
[M-H]- 140.10809 129.7
[M+NH4]+ 159.14919 148.7
[M+K]+ 180.07853 136.9
[M+H-H2O]+ 124.11263 117.8
[M+HCOO]- 186.11357 148.2
[M+CH3COO]- 200.12922 190.0
[M+Na-2H]- 162.09004 134.1
[M]+ 141.11482 126.8
[M]- 141.11592 126.8
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.