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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18164 157.6
[M+Na]+ 269.16358 162.2
[M-H]- 245.16708 158.8
[M+NH4]+ 264.20818 178.0
[M+K]+ 285.13752 161.0
[M+H-H2O]+ 229.17162 152.0
[M+HCOO]- 291.17256 177.4
[M+CH3COO]- 305.18821 196.2
[M+Na-2H]- 267.14903 159.6
[M]+ 246.17381 154.2
[M]- 246.17491 154.2
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

No patent data available for this compound.