CID 72213388

Tert-butyl 4-(but-3-yn-1-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CCC#C
InChI
InChI=1S/C13H22N2O2/c1-5-6-7-14-8-10-15(11-9-14)12(16)17-13(2,3)4/h1H,6-11H2,2-4H3
InChIKey
NDBBLLCYPXUQNU-UHFFFAOYSA-N
Compound name
tert-butyl 4-but-3-ynylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

238.16812 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.175396 155.1
[M+Na]+ 261.157338 161.6
[M-H]- 237.160844 153.5
[M+NH4]+ 256.201943 168.3
[M+K]+ 277.131278 159.2
[M+H-H2O]+ 221.165380 141.7
[M+HCOO]- 283.166321 164.6
[M+CH3COO]- 297.181971 198.7
[M+Na-2H]- 259.142786 156.6
[M]+ 238.16757142 148.4
[M]- 238.16866858 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