CID 155973069

2648947-68-4

Structural Information

Molecular Formula
C15H24N2O2
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C#C)C2CC2
InChI
InChI=1S/C15H24N2O2/c1-5-13(12-6-7-12)16-8-10-17(11-9-16)14(18)19-15(2,3)4/h1,12-13H,6-11H2,2-4H3
InChIKey
KBZSADJEAQUCNS-UHFFFAOYSA-N
Compound name
tert-butyl 4-(1-cyclopropylprop-2-ynyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.18378 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.19106 163.1
[M+Na]+ 287.17300 174.6
[M-H]- 263.17650 166.5
[M+NH4]+ 282.21760 172.7
[M+K]+ 303.14694 167.9
[M+H-H2O]+ 247.18104 151.8
[M+HCOO]- 309.18198 173.6
[M+CH3COO]- 323.19763 205.8
[M+Na-2H]- 285.15845 164.4
[M]+ 264.18323 159.4
[M]- 264.18433 159.4
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

No patent data available for this compound.