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

11
Patents

222.1256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 151.0
[M+Na]+ 245.11482 157.8
[M-H]- 221.11832 153.3
[M+NH4]+ 240.15942 169.0
[M+K]+ 261.08876 156.0
[M+H-H2O]+ 205.12286 145.6
[M+HCOO]- 267.12380 171.1
[M+CH3COO]- 281.13945 186.9
[M+Na-2H]- 243.10027 155.5
[M]+ 222.12505 153.3
[M]- 222.12615 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