CID 53432563

Tert-butyl (3-(hydroxymethyl)piperidin-3-yl)carbamate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)NC1(CCCNC1)CO
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-11(8-14)5-4-6-12-7-11/h12,14H,4-8H2,1-3H3,(H,13,15)
InChIKey
DQUMGUGHUCDTDY-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(hydroxymethyl)piperidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

230.16304 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 155.8
[M+Na]+ 253.15226 159.0
[M-H]- 229.15576 154.2
[M+NH4]+ 248.19686 172.6
[M+K]+ 269.12620 157.7
[M+H-H2O]+ 213.16030 150.5
[M+HCOO]- 275.16124 170.4
[M+CH3COO]- 289.17689 185.0
[M+Na-2H]- 251.13771 160.3
[M]+ 230.16249 150.8
[M]- 230.16359 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