CID 4582402

3-{[(4-fluorophenyl)methyl]amino}propan-1-ol

Structural Information

Molecular Formula
C10H14FNO
SMILES
C1=CC(=CC=C1CNCCCO)F
InChI
InChI=1S/C10H14FNO/c11-10-4-2-9(3-5-10)8-12-6-1-7-13/h2-5,12-13H,1,6-8H2
InChIKey
WUANPVZFFZNHAA-UHFFFAOYSA-N
Compound name
3-[(4-fluorophenyl)methylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

183.10594 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11322 138.4
[M+Na]+ 206.09516 145.0
[M-H]- 182.09866 139.1
[M+NH4]+ 201.13976 157.4
[M+K]+ 222.06910 141.9
[M+H-H2O]+ 166.10320 131.5
[M+HCOO]- 228.10414 161.3
[M+CH3COO]- 242.11979 182.4
[M+Na-2H]- 204.08061 144.5
[M]+ 183.10539 136.6
[M]- 183.10649 136.6
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