CID 3024025

94213-15-7

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCC(C)OCNC(=O)C=C
InChI
InChI=1S/C8H15NO2/c1-4-7(3)11-6-9-8(10)5-2/h5,7H,2,4,6H2,1,3H3,(H,9,10)
InChIKey
HZHFGXGWJSRSHQ-UHFFFAOYSA-N
Compound name
N-(butan-2-yloxymethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

157.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.4
[M+Na]+ 180.099498 142.1
[M-H]- 156.103004 136.5
[M+NH4]+ 175.144103 157.0
[M+K]+ 196.073438 141.9
[M+H-H2O]+ 140.107540 131.2
[M+HCOO]- 202.108481 159.4
[M+CH3COO]- 216.124131 181.1
[M+Na-2H]- 178.084946 140.1
[M]+ 157.10973142 137.7
[M]- 157.11082858 137.7
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