CID 16220473

Methyl 4-(1-hydroxycyclopropyl)benzoate

Structural Information

Molecular Formula
C11H12O3
SMILES
COC(=O)C1=CC=C(C=C1)C2(CC2)O
InChI
InChI=1S/C11H12O3/c1-14-10(12)8-2-4-9(5-3-8)11(13)6-7-11/h2-5,13H,6-7H2,1H3
InChIKey
JTIYZNGZFSYPCP-UHFFFAOYSA-N
Compound name
methyl 4-(1-hydroxycyclopropyl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

192.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 139.6
[M+Na]+ 215.067858 149.4
[M-H]- 191.071364 146.5
[M+NH4]+ 210.112463 155.7
[M+K]+ 231.041798 147.4
[M+H-H2O]+ 175.075900 134.5
[M+HCOO]- 237.076841 162.1
[M+CH3COO]- 251.092491 182.7
[M+Na-2H]- 213.053306 146.1
[M]+ 192.07809142 143.4
[M]- 192.07918858 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe