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 153.9
[M+Na]+ 238.15260 158.1
[M-H]- 214.15610 152.1
[M+NH4]+ 233.19720 168.7
[M+K]+ 254.12654 156.5
[M+H-H2O]+ 198.16064 147.0
[M+HCOO]- 260.16158 168.1
[M+CH3COO]- 274.17723 186.1
[M+Na-2H]- 236.13805 156.2
[M]+ 215.16283 148.4
[M]- 215.16393 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