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]+ 142.122646 128.9
[M+Na]+ 164.104588 137.1
[M-H]- 140.108094 129.7
[M+NH4]+ 159.149193 148.7
[M+K]+ 180.078528 136.9
[M+H-H2O]+ 124.112630 117.8
[M+HCOO]- 186.113571 148.2
[M+CH3COO]- 200.129221 190.0
[M+Na-2H]- 162.090036 134.1
[M]+ 141.11482142 126.8
[M]- 141.11591858 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.