CID 21098544

1-[(4-fluorophenyl)methyl]cyclopropan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12FN
SMILES
C1CC1(CC2=CC=C(C=C2)F)N
InChI
InChI=1S/C10H12FN/c11-9-3-1-8(2-4-9)7-10(12)5-6-10/h1-4H,5-7,12H2
InChIKey
XPPLAXOXGSXQLH-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]cyclopropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

165.09538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10266 129.7
[M+Na]+ 188.08460 139.4
[M-H]- 164.08810 136.0
[M+NH4]+ 183.12920 147.0
[M+K]+ 204.05854 136.6
[M+H-H2O]+ 148.09264 123.3
[M+HCOO]- 210.09358 153.6
[M+CH3COO]- 224.10923 183.7
[M+Na-2H]- 186.07005 137.2
[M]+ 165.09483 129.2
[M]- 165.09593 129.2
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

patents stripe