CID 89977

23050-90-0

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCN(CC)C1=CC(=C(C=C1)C(=O)O)O
InChI
InChI=1S/C11H15NO3/c1-3-12(4-2)8-5-6-9(11(14)15)10(13)7-8/h5-7,13H,3-4H2,1-2H3,(H,14,15)
InChIKey
IZYRYLLQDKRMKK-UHFFFAOYSA-N
Compound name
4-(diethylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

209.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 145.7
[M+Na]+ 232.094418 152.4
[M-H]- 208.097924 148.3
[M+NH4]+ 227.139023 163.7
[M+K]+ 248.068358 151.1
[M+H-H2O]+ 192.102460 139.7
[M+HCOO]- 254.103401 167.9
[M+CH3COO]- 268.119051 189.0
[M+Na-2H]- 230.079866 148.7
[M]+ 209.10465142 146.8
[M]- 209.10574858 146.8
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