CID 22386508

4-n-boc-2-hydroxymethylpiperazine

Structural Information

Molecular Formula
C10H20N2O3
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)CO
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-8(6-12)7-13/h8,11,13H,4-7H2,1-3H3
InChIKey
NSILYQWHARROMG-UHFFFAOYSA-N
Compound name
tert-butyl 3-(hydroxymethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1672
Patents

216.1474 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.15468 153.1
[M+Na]+ 239.13662 157.6
[M-H]- 215.14012 150.4
[M+NH4]+ 234.18122 167.7
[M+K]+ 255.11056 156.1
[M+H-H2O]+ 199.14466 146.6
[M+HCOO]- 261.14560 165.6
[M+CH3COO]- 275.16125 181.3
[M+Na-2H]- 237.12207 155.6
[M]+ 216.14685 149.0
[M]- 216.14795 149.0
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