CID 146155617

2741667-32-1

Structural Information

Molecular Formula
C12H20FNO2
SMILES
CC(C)(C)OC(=O)[C@]12CCC[C@]1(CNC2)F
InChI
InChI=1S/C12H20FNO2/c1-10(2,3)16-9(15)11-5-4-6-12(11,13)8-14-7-11/h14H,4-8H2,1-3H3/t11-,12-/m1/s1
InChIKey
QYJJKXOIGGEEHH-VXGBXAGGSA-N
Compound name
tert-butyl (3aS,6aR)-3a-fluoro-1,2,3,4,5,6-hexahydrocyclopenta[c]pyrrole-6a-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14781 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15509 155.5
[M+Na]+ 252.13703 161.8
[M-H]- 228.14053 155.5
[M+NH4]+ 247.18163 179.8
[M+K]+ 268.11097 159.6
[M+H-H2O]+ 212.14507 150.9
[M+HCOO]- 274.14601 170.2
[M+CH3COO]- 288.16166 184.3
[M+Na-2H]- 250.12248 158.5
[M]+ 229.14726 151.6
[M]- 229.14836 151.6
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.