CID 12207545

(but-3-yn-1-yl)dimethylamine

Structural Information

Molecular Formula
C6H11N
SMILES
CN(C)CCC#C
InChI
InChI=1S/C6H11N/c1-4-5-6-7(2)3/h1H,5-6H2,2-3H3
InChIKey
WSCWSMUKWIYUFV-UHFFFAOYSA-N
Compound name
N,N-dimethylbut-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

129
Patents

97.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 118.6
[M+Na]+ 120.07837 127.5
[M-H]- 96.081874 119.7
[M+NH4]+ 115.12297 139.9
[M+K]+ 136.05231 127.4
[M+H-H2O]+ 80.086410 108.0
[M+HCOO]- 142.08735 138.2
[M+CH3COO]- 156.10300 182.9
[M+Na-2H]- 118.06382 124.7
[M]+ 97.088601 114.4
[M]- 97.089699 114.4
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