CID 131545243

2-(4-fluorophenyl)-4-methylpent-3-en-2-amine

Structural Information

Molecular Formula
C12H16FN
SMILES
CC(=CC(C)(C1=CC=C(C=C1)F)N)C
InChI
InChI=1S/C12H16FN/c1-9(2)8-12(3,14)10-4-6-11(13)7-5-10/h4-8H,14H2,1-3H3
InChIKey
QMUOOQPDJCMNTN-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-4-methylpent-3-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12668 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.133956 143.6
[M+Na]+ 216.115898 150.5
[M-H]- 192.119404 145.5
[M+NH4]+ 211.160503 162.9
[M+K]+ 232.089838 147.3
[M+H-H2O]+ 176.123940 137.3
[M+HCOO]- 238.124881 164.2
[M+CH3COO]- 252.140531 188.0
[M+Na-2H]- 214.101346 147.6
[M]+ 193.12613142 140.2
[M]- 193.12722858 140.2
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.