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

8
Patents

178.06299 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 136.1
[M+Na]+ 201.05221 145.3
[M-H]- 177.05571 142.8
[M+NH4]+ 196.09681 152.3
[M+K]+ 217.02615 143.6
[M+H-H2O]+ 161.06025 130.8
[M+HCOO]- 223.06119 158.9
[M+CH3COO]- 237.07684 179.4
[M+Na-2H]- 199.03766 143.6
[M]+ 178.06244 139.1
[M]- 178.06354 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