CID 155712

N,n-diethyl-3-hydroxymethylbenzamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCN(CC)C(=O)C1=CC=CC(=C1)CO
InChI
InChI=1S/C12H17NO2/c1-3-13(4-2)12(15)11-7-5-6-10(8-11)9-14/h5-8,14H,3-4,9H2,1-2H3
InChIKey
FRZJZRVZZNTMAW-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(hydroxymethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1017
Patents

207.12593 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.6
[M+Na]+ 230.11515 153.6
[M-H]- 206.11865 151.2
[M+NH4]+ 225.15975 166.4
[M+K]+ 246.08909 152.4
[M+H-H2O]+ 190.12319 141.2
[M+HCOO]- 252.12413 170.9
[M+CH3COO]- 266.13978 190.6
[M+Na-2H]- 228.10060 151.3
[M]+ 207.12538 149.1
[M]- 207.12648 149.1
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