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]+ 196.144436 145.0
[M+Na]+ 218.126378 149.9
[M-H]- 194.129884 141.7
[M+NH4]+ 213.170983 158.1
[M+K]+ 234.100318 146.8
[M+H-H2O]+ 178.134420 131.2
[M+HCOO]- 240.135361 155.1
[M+CH3COO]- 254.151011 191.5
[M+Na-2H]- 216.111826 146.5
[M]+ 195.13661142 133.2
[M]- 195.13770858 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.