CID 39247201

1572282-39-3

Structural Information

Molecular Formula
C11H14ClNO2
SMILES
CCN(CC1=CC=CC=C1Cl)CC(=O)O
InChI
InChI=1S/C11H14ClNO2/c1-2-13(8-11(14)15)7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3,(H,14,15)
InChIKey
ZCIIOFYIPIKDAY-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenyl)methyl-ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0713 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07858 148.7
[M+Na]+ 250.06052 155.8
[M-H]- 226.06402 152.2
[M+NH4]+ 245.10512 167.4
[M+K]+ 266.03446 152.7
[M+H-H2O]+ 210.06856 143.3
[M+HCOO]- 272.06950 167.8
[M+CH3COO]- 286.08515 192.0
[M+Na-2H]- 248.04597 152.5
[M]+ 227.07075 151.9
[M]- 227.07185 151.9
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.