CID 66568113

1353958-92-5

Structural Information

Molecular Formula
C12H25N3O2
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)CCN
InChI
InChI=1S/C12H25N3O2/c1-10-9-14(6-5-13)7-8-15(10)11(16)17-12(2,3)4/h10H,5-9,13H2,1-4H3
InChIKey
JFJOMKBEHWCRSW-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-aminoethyl)-2-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.19467 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.20195 162.0
[M+Na]+ 266.18389 166.8
[M-H]- 242.18739 161.7
[M+NH4]+ 261.22849 176.8
[M+K]+ 282.15783 165.6
[M+H-H2O]+ 226.19193 154.8
[M+HCOO]- 288.19287 177.1
[M+CH3COO]- 302.20852 195.9
[M+Na-2H]- 264.16934 163.2
[M]+ 243.19412 159.6
[M]- 243.19522 159.6
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.