CID 27979

N-(isobutoxymethyl)acrylamide

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)COCNC(=O)C=C
InChI
InChI=1S/C8H15NO2/c1-4-8(10)9-6-11-5-7(2)3/h4,7H,1,5-6H2,2-3H3,(H,9,10)
InChIKey
KCTMTGOHHMRJHZ-UHFFFAOYSA-N
Compound name
N-(2-methylpropoxymethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

6448
Patents

157.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.4
[M+Na]+ 180.09950 142.1
[M-H]- 156.10300 136.5
[M+NH4]+ 175.14410 157.0
[M+K]+ 196.07344 141.9
[M+H-H2O]+ 140.10754 131.2
[M+HCOO]- 202.10848 159.4
[M+CH3COO]- 216.12413 181.1
[M+Na-2H]- 178.08495 140.1
[M]+ 157.10973 137.7
[M]- 157.11083 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

literature stripe

Patent stripe

patents stripe