CID 75356516

4-{[(2-fluorophenyl)methyl]amino}pentan-1-ol

Structural Information

Molecular Formula
C12H18FNO
SMILES
CC(CCCO)NCC1=CC=CC=C1F
InChI
InChI=1S/C12H18FNO/c1-10(5-4-8-15)14-9-11-6-2-3-7-12(11)13/h2-3,6-7,10,14-15H,4-5,8-9H2,1H3
InChIKey
UUXHRKUNKFJYFL-UHFFFAOYSA-N
Compound name
4-[(2-fluorophenyl)methylamino]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.13724 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.144516 148.4
[M+Na]+ 234.126458 153.9
[M-H]- 210.129964 148.9
[M+NH4]+ 229.171063 166.2
[M+K]+ 250.100398 150.8
[M+H-H2O]+ 194.134500 141.2
[M+HCOO]- 256.135441 169.6
[M+CH3COO]- 270.151091 189.3
[M+Na-2H]- 232.111906 152.1
[M]+ 211.13669142 146.7
[M]- 211.13778858 146.7
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

No patent data available for this compound.