CID 67550562

Methyl 5-(aminomethyl)-2-fluorobenzoate hydrochloride

Structural Information

Molecular Formula
C9H10FNO2
SMILES
COC(=O)C1=C(C=CC(=C1)CN)F
InChI
InChI=1S/C9H10FNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,5,11H2,1H3
InChIKey
URENGDOGLKEOKE-UHFFFAOYSA-N
Compound name
methyl 5-(aminomethyl)-2-fluorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

183.06955 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.07683 136.1
[M+Na]+ 206.05877 144.6
[M-H]- 182.06227 138.5
[M+NH4]+ 201.10337 155.8
[M+K]+ 222.03271 142.8
[M+H-H2O]+ 166.06681 129.4
[M+HCOO]- 228.06775 159.7
[M+CH3COO]- 242.08340 183.8
[M+Na-2H]- 204.04422 140.3
[M]+ 183.06900 135.3
[M]- 183.07010 135.3
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