CID 17851574

N,n-dimethylpent-4-ynamide

Structural Information

Molecular Formula
C7H11NO
SMILES
CN(C)C(=O)CCC#C
InChI
InChI=1S/C7H11NO/c1-4-5-6-7(9)8(2)3/h1H,5-6H2,2-3H3
InChIKey
YFYSMOHZDAWQHM-UHFFFAOYSA-N
Compound name
N,N-dimethylpent-4-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

125.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 126.2
[M+Na]+ 148.073278 134.9
[M-H]- 124.076784 127.2
[M+NH4]+ 143.117883 146.4
[M+K]+ 164.047218 134.7
[M+H-H2O]+ 108.081320 115.3
[M+HCOO]- 170.082261 145.0
[M+CH3COO]- 184.097911 186.6
[M+Na-2H]- 146.058726 130.5
[M]+ 125.08351142 122.3
[M]- 125.08460858 122.3
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

patents stripe