CID 67298711

Tert-butyl 2-(hydroxymethyl)-4-methylpiperazine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCN(CC1CO)C
InChI
InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-6-5-12(4)7-9(13)8-14/h9,14H,5-8H2,1-4H3
InChIKey
XZYXIWRAMFFBFZ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(hydroxymethyl)-4-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

230.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 156.2
[M+Na]+ 253.15226 161.8
[M-H]- 229.15576 155.2
[M+NH4]+ 248.19686 171.4
[M+K]+ 269.12620 160.9
[M+H-H2O]+ 213.16030 149.7
[M+HCOO]- 275.16124 170.0
[M+CH3COO]- 289.17689 188.1
[M+Na-2H]- 251.13771 158.2
[M]+ 230.16249 154.8
[M]- 230.16359 154.8
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