CID 86811560

1795361-16-8

Structural Information

Molecular Formula
C17H32N2O4
SMILES
CC(C)(C)OC(=O)CN(CC1CCCNC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C17H32N2O4/c1-16(2,3)22-14(20)12-19(15(21)23-17(4,5)6)11-13-8-7-9-18-10-13/h13,18H,7-12H2,1-6H3
InChIKey
NNWQEGZTFIOUSA-UHFFFAOYSA-N
Compound name
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(piperidin-3-ylmethyl)amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.2362 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.24348 181.1
[M+Na]+ 351.22542 182.0
[M-H]- 327.22892 181.6
[M+NH4]+ 346.27002 193.3
[M+K]+ 367.19936 182.4
[M+H-H2O]+ 311.23346 174.4
[M+HCOO]- 373.23440 193.8
[M+CH3COO]- 387.25005 210.6
[M+Na-2H]- 349.21087 181.6
[M]+ 328.23565 180.7
[M]- 328.23675 180.7
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.