CID 65576172

1-(4-fluorophenyl)-n-methylbut-3-yn-2-amine

Structural Information

Molecular Formula
C11H12FN
SMILES
CNC(CC1=CC=C(C=C1)F)C#C
InChI
InChI=1S/C11H12FN/c1-3-11(13-2)8-9-4-6-10(12)7-5-9/h1,4-7,11,13H,8H2,2H3
InChIKey
HYWXCLRTOPARFL-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-N-methylbut-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09538 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.10266 138.6
[M+Na]+ 200.08460 147.6
[M-H]- 176.08810 139.3
[M+NH4]+ 195.12920 156.2
[M+K]+ 216.05854 143.4
[M+H-H2O]+ 160.09264 125.9
[M+HCOO]- 222.09358 155.8
[M+CH3COO]- 236.10923 192.9
[M+Na-2H]- 198.07005 142.5
[M]+ 177.09483 131.1
[M]- 177.09593 131.1
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.