CID 84056307

2-amino-2-[1-(2-chlorophenyl)cyclopropyl]acetic acid hydrochloride

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1CC1(C2=CC=CC=C2Cl)C(C(=O)O)N
InChI
InChI=1S/C11H12ClNO2/c12-8-4-2-1-3-7(8)11(5-6-11)9(13)10(14)15/h1-4,9H,5-6,13H2,(H,14,15)
InChIKey
XDDRUNYYJXTBQS-UHFFFAOYSA-N
Compound name
2-amino-2-[1-(2-chlorophenyl)cyclopropyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.05565 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 141.5
[M+Na]+ 248.044868 150.6
[M-H]- 224.048374 147.5
[M+NH4]+ 243.089473 156.4
[M+K]+ 264.018808 146.4
[M+H-H2O]+ 208.052910 137.4
[M+HCOO]- 270.053851 159.0
[M+CH3COO]- 284.069501 190.0
[M+Na-2H]- 246.030316 146.0
[M]+ 225.05510142 143.7
[M]- 225.05619858 143.7
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.