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

33
Patents

169.09029 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09757 133.7
[M+Na]+ 192.07951 140.8
[M-H]- 168.08301 134.7
[M+NH4]+ 187.12411 153.4
[M+K]+ 208.05345 138.0
[M+H-H2O]+ 152.08755 127.1
[M+HCOO]- 214.08849 157.0
[M+CH3COO]- 228.10414 179.4
[M+Na-2H]- 190.06496 140.5
[M]+ 169.08974 131.7
[M]- 169.09084 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