CID 111485

2-propenamide, n-(3-hydroxy-2,2-bis(hydroxymethyl)-1,1-dimethylbutyl)-

Structural Information

Molecular Formula
C11H21NO4
SMILES
CC(C(CO)(CO)C(C)(C)NC(=O)C=C)O
InChI
InChI=1S/C11H21NO4/c1-5-9(16)12-10(3,4)11(6-13,7-14)8(2)15/h5,8,13-15H,1,6-7H2,2-4H3,(H,12,16)
InChIKey
CPQILPVJBOJVJC-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-3,3-bis(hydroxymethyl)-2-methylpentan-2-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.14706 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.15434 155.1
[M+Na]+ 254.13628 158.9
[M-H]- 230.13978 150.8
[M+NH4]+ 249.18088 170.6
[M+K]+ 270.11022 157.4
[M+H-H2O]+ 214.14432 150.9
[M+HCOO]- 276.14526 169.9
[M+CH3COO]- 290.16091 187.7
[M+Na-2H]- 252.12173 157.6
[M]+ 231.14651 153.6
[M]- 231.14761 153.6
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

No patent data available for this compound.