CID 3062452

N-butyl-3,4-dihydroxybenzamide

Structural Information

Molecular Formula
C11H15NO3
SMILES
CCCCNC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H15NO3/c1-2-3-6-12-11(15)8-4-5-9(13)10(14)7-8/h4-5,7,13-14H,2-3,6H2,1H3,(H,12,15)
InChIKey
BCJUFWUOCJPSSX-UHFFFAOYSA-N
Compound name
N-butyl-3,4-dihydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

209.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.112476 146.3
[M+Na]+ 232.094418 152.9
[M-H]- 208.097924 147.4
[M+NH4]+ 227.139023 163.7
[M+K]+ 248.068358 150.2
[M+H-H2O]+ 192.102460 140.4
[M+HCOO]- 254.103401 168.0
[M+CH3COO]- 268.119051 185.0
[M+Na-2H]- 230.079866 150.0
[M]+ 209.10465142 146.0
[M]- 209.10574858 146.0
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