CID 67374389

Tert-butyl 4-(aminomethyl)-3-fluoropiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H21FN2O2
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)F)CN
InChI
InChI=1S/C11H21FN2O2/c1-11(2,3)16-10(15)14-5-4-8(6-13)9(12)7-14/h8-9H,4-7,13H2,1-3H3
InChIKey
PWWDRFMQLZQJAY-UHFFFAOYSA-N
Compound name
tert-butyl 4-(aminomethyl)-3-fluoropiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

232.1587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.16598 155.3
[M+Na]+ 255.14792 160.4
[M-H]- 231.15142 155.1
[M+NH4]+ 250.19252 171.7
[M+K]+ 271.12186 159.2
[M+H-H2O]+ 215.15596 148.1
[M+HCOO]- 277.15690 170.9
[M+CH3COO]- 291.17255 192.8
[M+Na-2H]- 253.13337 156.3
[M]+ 232.15815 150.8
[M]- 232.15925 150.8
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