CID 45072384

1213853-34-9

Structural Information

Molecular Formula
C10H14FN
SMILES
CC[C@@H](C1=CC(=C(C=C1)C)F)N
InChI
InChI=1S/C10H14FN/c1-3-10(12)8-5-4-7(2)9(11)6-8/h4-6,10H,3,12H2,1-2H3/t10-/m0/s1
InChIKey
HIHAUZOLSWSRRN-JTQLQIEISA-N
Compound name
(1S)-1-(3-fluoro-4-methylphenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

167.11102 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.11830 135.5
[M+Na]+ 190.10024 143.3
[M-H]- 166.10374 137.7
[M+NH4]+ 185.14484 156.0
[M+K]+ 206.07418 140.8
[M+H-H2O]+ 150.10828 129.1
[M+HCOO]- 212.10922 158.1
[M+CH3COO]- 226.12487 184.3
[M+Na-2H]- 188.08569 139.1
[M]+ 167.11047 133.0
[M]- 167.11157 133.0
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.