CID 17856495

N-t-boc-trans-4-fluoro-l-prolinonitrile

Structural Information

Molecular Formula
C10H15FN2O2
SMILES
CC(C)(C)OC(=O)N1CC(CC1C#N)F
InChI
InChI=1S/C10H15FN2O2/c1-10(2,3)15-9(14)13-6-7(11)4-8(13)5-12/h7-8H,4,6H2,1-3H3
InChIKey
QAKRZINKSNCLEV-UHFFFAOYSA-N
Compound name
tert-butyl 2-cyano-4-fluoropyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

214.11176 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11904 145.4
[M+Na]+ 237.10098 154.3
[M-H]- 213.10448 146.1
[M+NH4]+ 232.14558 162.9
[M+K]+ 253.07492 152.9
[M+H-H2O]+ 197.10902 132.4
[M+HCOO]- 259.10996 160.2
[M+CH3COO]- 273.12561 198.0
[M+Na-2H]- 235.08643 146.8
[M]+ 214.11121 139.4
[M]- 214.11231 139.4
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