CID 75481220

1-[2-(benzyloxy)ethyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CC1(CCOCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H16O3/c14-12(15)13(6-7-13)8-9-16-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,14,15)
InChIKey
HUFDBLNVIRUMQA-UHFFFAOYSA-N
Compound name
1-(2-phenylmethoxyethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

220.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 148.7
[M+Na]+ 243.099158 156.6
[M-H]- 219.102664 154.8
[M+NH4]+ 238.143763 163.3
[M+K]+ 259.073098 154.3
[M+H-H2O]+ 203.107200 142.9
[M+HCOO]- 265.108141 170.6
[M+CH3COO]- 279.123791 188.0
[M+Na-2H]- 241.084606 154.7
[M]+ 220.10939142 152.8
[M]- 220.11048858 152.8
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