CID 202770

Salicylic acid, 2-propylvalerate

Structural Information

Molecular Formula
C15H20O4
SMILES
CCCC(CCC)C(=O)OC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C15H20O4/c1-3-7-11(8-4-2)15(18)19-13-10-6-5-9-12(13)14(16)17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKey
HILHGPGUHSJXAX-UHFFFAOYSA-N
Compound name
2-(2-propylpentanoyloxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 162.2
[M+Na]+ 287.12539 167.2
[M-H]- 263.12889 163.8
[M+NH4]+ 282.16999 177.9
[M+K]+ 303.09933 165.4
[M+H-H2O]+ 247.13343 155.6
[M+HCOO]- 309.13437 181.5
[M+CH3COO]- 323.15002 196.3
[M+Na-2H]- 285.11084 162.3
[M]+ 264.13562 165.2
[M]- 264.13672 165.2
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