CID 103382

Dtxsid5070315

Structural Information

Molecular Formula
C13H16O3
SMILES
CC=C(C)CCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C13H16O3/c1-3-10(2)8-9-16-13(15)11-6-4-5-7-12(11)14/h3-7,14H,8-9H2,1-2H3
InChIKey
DUVODKYLTOFNJW-UHFFFAOYSA-N
Compound name
3-methylpent-3-enyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.10994 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 150.1
[M+Na]+ 243.09916 156.5
[M-H]- 219.10266 152.2
[M+NH4]+ 238.14376 168.0
[M+K]+ 259.07310 154.1
[M+H-H2O]+ 203.10720 144.2
[M+HCOO]- 265.10814 171.0
[M+CH3COO]- 279.12379 186.6
[M+Na-2H]- 241.08461 152.6
[M]+ 220.10939 151.5
[M]- 220.11049 151.5
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.