CID 84046936

1781551-71-0

Structural Information

Molecular Formula
C10H19N3O
SMILES
CC(=O)N1CC(C1)CN2CCNCC2
InChI
InChI=1S/C10H19N3O/c1-9(14)13-7-10(8-13)6-12-4-2-11-3-5-12/h10-11H,2-8H2,1H3
InChIKey
YNSKOGGZOTWQGO-UHFFFAOYSA-N
Compound name
1-[3-(piperazin-1-ylmethyl)azetidin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.15282 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.160096 147.7
[M+Na]+ 220.142038 150.6
[M-H]- 196.145544 147.4
[M+NH4]+ 215.186643 155.5
[M+K]+ 236.115978 151.4
[M+H-H2O]+ 180.150080 133.9
[M+HCOO]- 242.151021 159.9
[M+CH3COO]- 256.166671 185.1
[M+Na-2H]- 218.127486 149.4
[M]+ 197.15227142 149.6
[M]- 197.15336858 149.6
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.