CID 4717882

[(4-fluorophenyl)methyl](prop-2-en-1-yl)amine

Structural Information

Molecular Formula
C10H12FN
SMILES
C=CCNCC1=CC=C(C=C1)F
InChI
InChI=1S/C10H12FN/c1-2-7-12-8-9-3-5-10(11)6-4-9/h2-6,12H,1,7-8H2
InChIKey
PEGGUJZMVWZOLD-UHFFFAOYSA-N
Compound name
N-[(4-fluorophenyl)methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

165.09538 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10266 133.3
[M+Na]+ 188.08460 140.7
[M-H]- 164.08810 135.6
[M+NH4]+ 183.12920 153.8
[M+K]+ 204.05854 137.5
[M+H-H2O]+ 148.09264 126.6
[M+HCOO]- 210.09358 157.7
[M+CH3COO]- 224.10923 182.2
[M+Na-2H]- 186.07005 140.1
[M]+ 165.09483 131.4
[M]- 165.09593 131.4
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

patents stripe