CID 11287538

199538-99-3

Structural Information

Molecular Formula
C12H20N2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)CC#C
InChI
InChI=1S/C12H20N2O2/c1-5-6-13-7-9-14(10-8-13)11(15)16-12(2,3)4/h1H,6-10H2,2-4H3
InChIKey
OAXARSVKYJPDPA-UHFFFAOYSA-N
Compound name
tert-butyl 4-prop-2-ynylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3582
Patents

224.15248 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.15976 151.2
[M+Na]+ 247.14170 158.1
[M-H]- 223.14520 149.8
[M+NH4]+ 242.18630 164.9
[M+K]+ 263.11564 155.9
[M+H-H2O]+ 207.14974 138.0
[M+HCOO]- 269.15068 161.0
[M+CH3COO]- 283.16633 196.0
[M+Na-2H]- 245.12715 153.2
[M]+ 224.15193 144.2
[M]- 224.15303 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe