CID 139026688

2740779-23-9

Structural Information

Molecular Formula

C₁₂H₂₃FN₂O₂

SMILES

CC(C)(C)OC(=O)NC[C@]1(CC[C@@H](C1)CN)F

InChI

InChI=1S/C12H23FN2O2/c1-11(2,3)17-10(16)15-8-12(13)5-4-9(6-12)7-14/h9H,4-8,14H2,1-3H3,(H,15,16)/t9-,12+/m0/s1

InChIKey

AEVGPONOWGYMFT-JOYOIKCWSA-N

Compound name

tert-butyl N-[[(1R,3S)-3-(aminomethyl)-1-fluorocyclopentyl]methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.17436 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	247.181636	157.6
[M+Na]+	269.163578	162.2
[M-H]-	245.167084	158.8
[M+NH4]+	264.208183	178.0
[M+K]+	285.137518	161.0
[M+H-H2O]+	229.171620	152.0
[M+HCOO]-	291.172561	177.4
[M+CH3COO]-	305.188211	196.2
[M+Na-2H]-	267.149026	159.6
[M]+	246.17381142	154.2
[M]-	246.17490858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.