CID 79480

4-(diethylamino)benzoic acid

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCN(CC)C1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H15NO2/c1-3-12(4-2)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey
LNYTUARMNSFFBE-UHFFFAOYSA-N
Compound name
4-(diethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

1943
Patents

193.11028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.7
[M+Na]+ 216.099498 149.0
[M-H]- 192.103004 146.4
[M+NH4]+ 211.144103 161.9
[M+K]+ 232.073438 148.0
[M+H-H2O]+ 176.107540 136.5
[M+HCOO]- 238.108481 166.3
[M+CH3COO]- 252.124131 188.2
[M+Na-2H]- 214.084946 146.9
[M]+ 193.10973142 143.9
[M]- 193.11082858 143.9
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