CID 19739

Brn 2619274

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)O)C(=O)NCCO
InChI
InChI=1S/C13H19NO3/c1-8(2)10-5-4-9(3)11(12(10)16)13(17)14-6-7-15/h4-5,8,15-16H,6-7H2,1-3H3,(H,14,17)
InChIKey
HOOMFBSLRSWDFV-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(2-hydroxyethyl)-6-methyl-3-propan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.13649 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 155.3
[M+Na]+ 260.12571 161.7
[M-H]- 236.12921 156.5
[M+NH4]+ 255.17031 171.9
[M+K]+ 276.09965 159.2
[M+H-H2O]+ 220.13375 149.4
[M+HCOO]- 282.13469 175.3
[M+CH3COO]- 296.15034 193.2
[M+Na-2H]- 258.11116 156.0
[M]+ 237.13594 155.5
[M]- 237.13704 155.5
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

No patent data available for this compound.