CID 11240440

N,n-dimethylprop-2-ynamide

Structural Information

Molecular Formula
C5H7NO
SMILES
CN(C)C(=O)C#C
InChI
InChI=1S/C5H7NO/c1-4-5(7)6(2)3/h1H,2-3H3
InChIKey
NYABMBZLFIIBCU-UHFFFAOYSA-N
Compound name
N,N-dimethylprop-2-ynamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

97.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.060041 118.0
[M+Na]+ 120.04198 127.4
[M-H]- 96.045489 119.4
[M+NH4]+ 115.08659 139.3
[M+K]+ 136.01592 127.8
[M+H-H2O]+ 80.050025 107.5
[M+HCOO]- 142.05097 137.4
[M+CH3COO]- 156.06662 181.2
[M+Na-2H]- 118.02743 123.3
[M]+ 97.052216 113.5
[M]- 97.053314 113.5
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