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]+ 194.13396 143.6
[M+Na]+ 216.11590 150.5
[M-H]- 192.11940 145.5
[M+NH4]+ 211.16050 162.9
[M+K]+ 232.08984 147.3
[M+H-H2O]+ 176.12394 137.3
[M+HCOO]- 238.12488 164.2
[M+CH3COO]- 252.14053 188.0
[M+Na-2H]- 214.10135 147.6
[M]+ 193.12613 140.2
[M]- 193.12723 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.