CID 14230

N-butyl-n-methylformamide

Structural Information

Molecular Formula
C6H13NO
SMILES
CCCCN(C)C=O
InChI
InChI=1S/C6H13NO/c1-3-4-5-7(2)6-8/h6H,3-5H2,1-2H3
InChIKey
MCZIJQYYIXXDDA-UHFFFAOYSA-N
Compound name
N-butyl-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1638
Patents

115.09972 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.106996 124.2
[M+Na]+ 138.088938 131.0
[M-H]- 114.092444 126.0
[M+NH4]+ 133.133543 147.4
[M+K]+ 154.062878 132.1
[M+H-H2O]+ 98.096980 119.3
[M+HCOO]- 160.097921 150.0
[M+CH3COO]- 174.113571 176.6
[M+Na-2H]- 136.074386 130.8
[M]+ 115.09917142 126.7
[M]- 115.10026858 126.7
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