CID 642908

N-butylacrylamide

Structural Information

Molecular Formula
C7H13NO
SMILES
CCCCNC(=O)C=C
InChI
InChI=1S/C7H13NO/c1-3-5-6-8-7(9)4-2/h4H,2-3,5-6H2,1H3,(H,8,9)
InChIKey
YRVUCYWJQFRCOB-UHFFFAOYSA-N
Compound name
N-butylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19308
Patents

127.09972 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.106996 128.3
[M+Na]+ 150.088938 134.7
[M-H]- 126.092444 128.6
[M+NH4]+ 145.133543 150.3
[M+K]+ 166.062878 133.9
[M+H-H2O]+ 110.096980 123.5
[M+HCOO]- 172.097921 152.5
[M+CH3COO]- 186.113571 175.3
[M+Na-2H]- 148.074386 133.9
[M]+ 127.09917142 128.5
[M]- 127.10026858 128.5
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