CID 178190223

Rac-(1r,2s)-2-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C12H14O3
SMILES
COC1=CC=C(C=C1)C[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C12H14O3/c1-15-10-4-2-8(3-5-10)6-9-7-11(9)12(13)14/h2-5,9,11H,6-7H2,1H3,(H,13,14)/t9-,11-/m1/s1
InChIKey
WNQYWXSJPIASBO-MWLCHTKSSA-N
Compound name
cis-(1R,2S)-2-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.101576 142.0
[M+Na]+ 229.083518 151.3
[M-H]- 205.087024 148.6
[M+NH4]+ 224.128123 155.8
[M+K]+ 245.057458 148.1
[M+H-H2O]+ 189.091560 135.7
[M+HCOO]- 251.092501 164.4
[M+CH3COO]- 265.108151 187.8
[M+Na-2H]- 227.068966 146.3
[M]+ 206.09375142 146.1
[M]- 206.09484858 146.1
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

No patent data available for this compound.