CID 71756333

3-amino-1-(4-fluorophenyl)butan-1-ol

Structural Information

Molecular Formula
C10H14FNO
SMILES
CC(CC(C1=CC=C(C=C1)F)O)N
InChI
InChI=1S/C10H14FNO/c1-7(12)6-10(13)8-2-4-9(11)5-3-8/h2-5,7,10,13H,6,12H2,1H3
InChIKey
UIXSIOQBLTVBSC-UHFFFAOYSA-N
Compound name
3-amino-1-(4-fluorophenyl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.10594 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.11322 140.2
[M+Na]+ 206.09516 146.3
[M-H]- 182.09866 140.6
[M+NH4]+ 201.13976 158.8
[M+K]+ 222.06910 143.9
[M+H-H2O]+ 166.10320 133.5
[M+HCOO]- 228.10414 160.4
[M+CH3COO]- 242.11979 183.5
[M+Na-2H]- 204.08061 142.6
[M]+ 183.10539 136.1
[M]- 183.10649 136.1
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.