CID 43115715

2-(piperazin-1-yl)-n-(prop-2-yn-1-yl)propanamide

Structural Information

Molecular Formula
C10H17N3O
SMILES
CC(C(=O)NCC#C)N1CCNCC1
InChI
InChI=1S/C10H17N3O/c1-3-4-12-10(14)9(2)13-7-5-11-6-8-13/h1,9,11H,4-8H2,2H3,(H,12,14)
InChIKey
YXMDUGUKTNNVFQ-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-N-prop-2-ynylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14444 145.0
[M+Na]+ 218.12638 149.9
[M-H]- 194.12988 141.7
[M+NH4]+ 213.17098 158.1
[M+K]+ 234.10032 146.8
[M+H-H2O]+ 178.13442 131.2
[M+HCOO]- 240.13536 155.1
[M+CH3COO]- 254.15101 191.5
[M+Na-2H]- 216.11183 146.5
[M]+ 195.13661 133.2
[M]- 195.13771 133.2
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.