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

18
Patents

220.10994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 148.7
[M+Na]+ 243.09916 156.6
[M-H]- 219.10266 154.8
[M+NH4]+ 238.14376 163.3
[M+K]+ 259.07310 154.3
[M+H-H2O]+ 203.10720 142.9
[M+HCOO]- 265.10814 170.6
[M+CH3COO]- 279.12379 188.0
[M+Na-2H]- 241.08461 154.7
[M]+ 220.10939 152.8
[M]- 220.11049 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