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

13
Patents

232.1587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.165976 155.3
[M+Na]+ 255.147918 160.4
[M-H]- 231.151424 155.1
[M+NH4]+ 250.192523 171.7
[M+K]+ 271.121858 159.2
[M+H-H2O]+ 215.155960 148.1
[M+HCOO]- 277.156901 170.9
[M+CH3COO]- 291.172551 192.8
[M+Na-2H]- 253.133366 156.3
[M]+ 232.15815142 150.8
[M]- 232.15924858 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