CID 10487497

Rac-(1r,2s)-2-benzylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1[C@H]([C@@H]1C(=O)O)CC2=CC=CC=C2
InChI
InChI=1S/C11H12O2/c12-11(13)10-7-9(10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,12,13)/t9-,10-/m1/s1
InChIKey
NHRRSNXEZMRFKC-NXEZZACHSA-N
Compound name
(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 139.3
[M+Na]+ 199.07294 153.0
[M+NH4]+ 194.11754 148.4
[M+K]+ 215.04688 148.3
[M-H]- 175.07644 149.0
[M+Na-2H]- 197.05839 148.9
[M]+ 176.08317 145.0
[M]- 176.08427 145.0
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