CID 19073796

98969-19-8

Structural Information

Molecular Formula
C13H18O3
SMILES
CCCC(C)COC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C13H18O3/c1-3-6-10(2)9-16-13(15)11-7-4-5-8-12(11)14/h4-5,7-8,10,14H,3,6,9H2,1-2H3
InChIKey
YWXALCBWOUVZOE-UHFFFAOYSA-N
Compound name
2-methylpentyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

222.1256 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 151.5
[M+Na]+ 245.114818 157.4
[M-H]- 221.118324 153.4
[M+NH4]+ 240.159423 169.2
[M+K]+ 261.088758 155.6
[M+H-H2O]+ 205.122860 145.4
[M+HCOO]- 267.123801 172.1
[M+CH3COO]- 281.139451 188.1
[M+Na-2H]- 243.100266 153.8
[M]+ 222.12505142 153.6
[M]- 222.12614858 153.6
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