CID 3621307

137378-24-6

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC(CO)(CO)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO3/c1-11(7-13,8-14)12-10(15)9-5-3-2-4-6-9/h2-6,13-14H,7-8H2,1H3,(H,12,15)
InChIKey
CFLRHSNXFVBUKF-UHFFFAOYSA-N
Compound name
N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

209.1052 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.7
[M+Na]+ 232.094418 151.9
[M-H]- 208.097924 147.4
[M+NH4]+ 227.139023 163.7
[M+K]+ 248.068358 149.6
[M+H-H2O]+ 192.102460 141.0
[M+HCOO]- 254.103401 166.9
[M+CH3COO]- 268.119051 182.9
[M+Na-2H]- 230.079866 152.7
[M]+ 209.10465142 145.2
[M]- 209.10574858 145.2
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