CID 67548440

Tert-butyl 3-(2-hydroxyphenyl)propanoate

Structural Information

Molecular Formula
C13H18O3
SMILES
CC(C)(C)OC(=O)CCC1=CC=CC=C1O
InChI
InChI=1S/C13H18O3/c1-13(2,3)16-12(15)9-8-10-6-4-5-7-11(10)14/h4-7,14H,8-9H2,1-3H3
InChIKey
WNZAPCYZXJERPB-UHFFFAOYSA-N
Compound name
tert-butyl 3-(2-hydroxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

222.1256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.132876 151.0
[M+Na]+ 245.114818 157.8
[M-H]- 221.118324 153.3
[M+NH4]+ 240.159423 169.0
[M+K]+ 261.088758 156.0
[M+H-H2O]+ 205.122860 145.6
[M+HCOO]- 267.123801 171.1
[M+CH3COO]- 281.139451 186.9
[M+Na-2H]- 243.100266 155.5
[M]+ 222.12505142 153.3
[M]- 222.12614858 153.3
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