CID 82391031

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

Structural Information

Molecular Formula
C11H23N3O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1CN)C
InChI
InChI=1S/C11H23N3O2/c1-11(2,3)16-10(15)14-6-5-13(4)8-9(14)7-12/h9H,5-8,12H2,1-4H3
InChIKey
KQQCWBGPQUEVTQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-4-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

229.17903 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.18631 157.5
[M+Na]+ 252.16825 162.7
[M-H]- 228.17175 157.4
[M+NH4]+ 247.21285 172.9
[M+K]+ 268.14219 161.8
[M+H-H2O]+ 212.17629 150.5
[M+HCOO]- 274.17723 173.0
[M+CH3COO]- 288.19288 192.9
[M+Na-2H]- 250.15370 159.2
[M]+ 229.17848 154.8
[M]- 229.17958 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