CID 23153413

1-(1-methylazetidin-3-yl)piperazine dihydrochloride

Structural Information

Molecular Formula
C8H17N3
SMILES
CN1CC(C1)N2CCNCC2
InChI
InChI=1S/C8H17N3/c1-10-6-8(7-10)11-4-2-9-3-5-11/h8-9H,2-7H2,1H3
InChIKey
HKPLQZCDRCICMY-UHFFFAOYSA-N
Compound name
1-(1-methylazetidin-3-yl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

155.14224 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.14952 135.4
[M+Na]+ 178.13146 139.3
[M-H]- 154.13496 135.3
[M+NH4]+ 173.17606 145.1
[M+K]+ 194.10540 140.2
[M+H-H2O]+ 138.13950 122.0
[M+HCOO]- 200.14044 148.9
[M+CH3COO]- 214.15609 177.9
[M+Na-2H]- 176.11691 139.5
[M]+ 155.14169 136.6
[M]- 155.14279 136.6
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

patents stripe