CID 4719266

2-((2-fluorobenzyl)amino)ethanol

Structural Information

Molecular Formula
C9H12FNO
SMILES
C1=CC=C(C(=C1)CNCCO)F
InChI
InChI=1S/C9H12FNO/c10-9-4-2-1-3-8(9)7-11-5-6-12/h1-4,11-12H,5-7H2
InChIKey
KQBZLORTKBGHPZ-UHFFFAOYSA-N
Compound name
2-[(2-fluorophenyl)methylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

169.09029 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.097566 133.7
[M+Na]+ 192.079508 140.8
[M-H]- 168.083014 134.7
[M+NH4]+ 187.124113 153.4
[M+K]+ 208.053448 138.0
[M+H-H2O]+ 152.087550 127.1
[M+HCOO]- 214.088491 157.0
[M+CH3COO]- 228.104141 179.4
[M+Na-2H]- 190.064956 140.5
[M]+ 169.08974142 131.7
[M]- 169.09083858 131.7
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

patents stripe