CID 138725

1-diethylamino-2-butyne

Structural Information

Molecular Formula
C8H15N
SMILES
CCN(CC)CC#CC
InChI
InChI=1S/C8H15N/c1-4-7-8-9(5-2)6-3/h5-6,8H2,1-3H3
InChIKey
GZDWCJZYZWTVCL-UHFFFAOYSA-N
Compound name
N,N-diethylbut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

125.12045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.12773 126.9
[M+Na]+ 148.10967 135.2
[M-H]- 124.11317 127.8
[M+NH4]+ 143.15427 147.4
[M+K]+ 164.08361 134.6
[M+H-H2O]+ 108.11771 116.0
[M+HCOO]- 170.11865 146.0
[M+CH3COO]- 184.13430 187.7
[M+Na-2H]- 146.09512 132.1
[M]+ 125.11990 123.4
[M]- 125.12100 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe