CID 53413950

Tert-butyl 3-(aminomethyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C10H21N3O2
SMILES
CC(C)(C)OC(=O)N1CCNC(C1)CN
InChI
InChI=1S/C10H21N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-7,11H2,1-3H3
InChIKey
SYPBUUQIMIYTEN-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

215.16338 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.170656 153.9
[M+Na]+ 238.152598 158.1
[M-H]- 214.156104 152.1
[M+NH4]+ 233.197203 168.7
[M+K]+ 254.126538 156.5
[M+H-H2O]+ 198.160640 147.0
[M+HCOO]- 260.161581 168.1
[M+CH3COO]- 274.177231 186.1
[M+Na-2H]- 236.138046 156.2
[M]+ 215.16283142 148.4
[M]- 215.16392858 148.4
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