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]+ 232.154336 155.1
[M+Na]+ 254.136278 158.9
[M-H]- 230.139784 150.8
[M+NH4]+ 249.180883 170.6
[M+K]+ 270.110218 157.4
[M+H-H2O]+ 214.144320 150.9
[M+HCOO]- 276.145261 169.9
[M+CH3COO]- 290.160911 187.7
[M+Na-2H]- 252.121726 157.6
[M]+ 231.14651142 153.6
[M]- 231.14760858 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.