CID 19073796

2-methylpentyl 2-hydroxybenzoate

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
1
Annotation Hits

0
References

7
Patents

222.1256 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 151.5
[M+Na]+ 245.11482 157.4
[M-H]- 221.11832 153.4
[M+NH4]+ 240.15942 169.2
[M+K]+ 261.08876 155.6
[M+H-H2O]+ 205.12286 145.4
[M+HCOO]- 267.12380 172.1
[M+CH3COO]- 281.13945 188.1
[M+Na-2H]- 243.10027 153.8
[M]+ 222.12505 153.6
[M]- 222.12615 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