CID 28428044

[(3-fluorophenyl)methyl](2-methylpropyl)amine

Structural Information

Molecular Formula
C11H16FN
SMILES
CC(C)CNCC1=CC(=CC=C1)F
InChI
InChI=1S/C11H16FN/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9,13H,7-8H2,1-2H3
InChIKey
HCNBCVDBTLLOSB-UHFFFAOYSA-N
Compound name
N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.12668 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.133956 140.0
[M+Na]+ 204.115898 146.4
[M-H]- 180.119404 142.2
[M+NH4]+ 199.160503 159.9
[M+K]+ 220.089838 144.1
[M+H-H2O]+ 164.123940 133.1
[M+HCOO]- 226.124881 162.9
[M+CH3COO]- 240.140531 186.9
[M+Na-2H]- 202.101346 144.9
[M]+ 181.12613142 138.5
[M]- 181.12722858 138.5
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.