CID 86276703

1707580-64-0

Structural Information

Molecular Formula
C17H25FN2O2
SMILES
CC(C)(C)OC(=O)NCC1(CCNCC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-12-17(8-10-19-11-9-17)13-4-6-14(18)7-5-13/h4-7,19H,8-12H2,1-3H3,(H,20,21)
InChIKey
DDXPLRDZOFGQCX-UHFFFAOYSA-N
Compound name
tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.19 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.19728 174.9
[M+Na]+ 331.17922 178.4
[M-H]- 307.18272 176.4
[M+NH4]+ 326.22382 189.1
[M+K]+ 347.15316 174.8
[M+H-H2O]+ 291.18726 166.5
[M+HCOO]- 353.18820 189.2
[M+CH3COO]- 367.20385 203.0
[M+Na-2H]- 329.16467 178.0
[M]+ 308.18945 169.2
[M]- 308.19055 169.2
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.