CID 17750462

(s)-2-ethylpiperazine, n1-boc protected

Structural Information

Molecular Formula
C11H22N2O2
SMILES
CC[C@H]1CNCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O2/c1-5-9-8-12-6-7-13(9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1
InChIKey
CTCGRXDGXGUOTE-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-ethylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

308
Patents

214.16812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.17540 153.9
[M+Na]+ 237.15734 158.6
[M-H]- 213.16084 152.6
[M+NH4]+ 232.20194 169.5
[M+K]+ 253.13128 157.2
[M+H-H2O]+ 197.16538 147.3
[M+HCOO]- 259.16632 167.5
[M+CH3COO]- 273.18197 184.7
[M+Na-2H]- 235.14279 156.4
[M]+ 214.16757 150.7
[M]- 214.16867 150.7
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

patents stripe