CID 31374

N,n-dimethylacetamide

Structural Information

Molecular Formula
C4H9NO
SMILES
CC(=O)N(C)C
InChI
InChI=1S/C4H9NO/c1-4(6)5(2)3/h1-3H3
InChIKey
FXHOOIRPVKKKFG-UHFFFAOYSA-N
Compound name
N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

605
References

84022
Patents

87.06841 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 88.075686 115.2
[M+Na]+ 110.05763 122.8
[M-H]- 86.061134 117.6
[M+NH4]+ 105.10223 139.6
[M+K]+ 126.03157 124.9
[M+H-H2O]+ 70.065670 110.9
[M+HCOO]- 132.06661 140.7
[M+CH3COO]- 146.08226 170.7
[M+Na-2H]- 108.04308 121.7
[M]+ 87.067861 116.3
[M]- 87.068959 116.3
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