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

4
Patents

229.17903 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.186306 157.5
[M+Na]+ 252.168248 162.7
[M-H]- 228.171754 157.4
[M+NH4]+ 247.212853 172.9
[M+K]+ 268.142188 161.8
[M+H-H2O]+ 212.176290 150.5
[M+HCOO]- 274.177231 173.0
[M+CH3COO]- 288.192881 192.9
[M+Na-2H]- 250.153696 159.2
[M]+ 229.17848142 154.8
[M]- 229.17957858 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