CID 16768986

2-{[(3-fluorophenyl)methyl]amino}propanoic acid hydrochloride

Structural Information

Molecular Formula
C10H12FNO2
SMILES
CC(C(=O)O)NCC1=CC(=CC=C1)F
InChI
InChI=1S/C10H12FNO2/c1-7(10(13)14)12-6-8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKey
LEVMPCLFKMFMNU-UHFFFAOYSA-N
Compound name
2-[(3-fluorophenyl)methylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

197.0852 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.09248 141.3
[M+Na]+ 220.07442 147.6
[M-H]- 196.07792 142.2
[M+NH4]+ 215.11902 159.5
[M+K]+ 236.04836 145.5
[M+H-H2O]+ 180.08246 134.4
[M+HCOO]- 242.08340 162.6
[M+CH3COO]- 256.09905 185.3
[M+Na-2H]- 218.05987 144.9
[M]+ 197.08465 139.0
[M]- 197.08575 139.0
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