CID 145712137

2383759-01-9

Structural Information

Molecular Formula
C12H15FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC2=C1C=CC(=N2)F
InChI
InChI=1S/C12H15FN2O2/c1-12(2,3)17-11(16)15-7-6-8-9(15)4-5-10(13)14-8/h4-5H,6-7H2,1-3H3
InChIKey
JFRPBEUBAWBUKY-UHFFFAOYSA-N
Compound name
tert-butyl 5-fluoro-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.11176 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11904 153.9
[M+Na]+ 261.10098 162.9
[M-H]- 237.10448 154.8
[M+NH4]+ 256.14558 172.3
[M+K]+ 277.07492 160.6
[M+H-H2O]+ 221.10902 146.5
[M+HCOO]- 283.10996 171.1
[M+CH3COO]- 297.12561 190.8
[M+Na-2H]- 259.08643 157.8
[M]+ 238.11121 154.5
[M]- 238.11231 154.5
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.