CID 58589648

1-phenoxycyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H10O3
SMILES
C1CC1(C(=O)O)OC2=CC=CC=C2
InChI
InChI=1S/C10H10O3/c11-9(12)10(6-7-10)13-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,12)
InChIKey
RBJBRZSEKONGLS-UHFFFAOYSA-N
Compound name
1-phenoxycyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

178.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.070266 136.1
[M+Na]+ 201.052208 145.3
[M-H]- 177.055714 142.8
[M+NH4]+ 196.096813 152.3
[M+K]+ 217.026148 143.6
[M+H-H2O]+ 161.060250 130.8
[M+HCOO]- 223.061191 158.9
[M+CH3COO]- 237.076841 179.4
[M+Na-2H]- 199.037656 143.6
[M]+ 178.06244142 139.1
[M]- 178.06353858 139.1
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