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

15
Patents

215.16338 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.17066 151.4
[M+Na]+ 238.15260 158.6
[M+NH4]+ 233.19720 156.8
[M+K]+ 254.12654 155.6
[M-H]- 214.15610 149.9
[M+Na-2H]- 236.13805 153.2
[M]+ 215.16283 151.5
[M]- 215.16393 151.5
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