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]+ 212.14452 148.4
[M+Na]+ 234.12646 153.9
[M-H]- 210.12996 148.9
[M+NH4]+ 229.17106 166.2
[M+K]+ 250.10040 150.8
[M+H-H2O]+ 194.13450 141.2
[M+HCOO]- 256.13544 169.6
[M+CH3COO]- 270.15109 189.3
[M+Na-2H]- 232.11191 152.1
[M]+ 211.13669 146.7
[M]- 211.13779 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.