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]+ 156.149516 135.4
[M+Na]+ 178.131458 139.3
[M-H]- 154.134964 135.3
[M+NH4]+ 173.176063 145.1
[M+K]+ 194.105398 140.2
[M+H-H2O]+ 138.139500 122.0
[M+HCOO]- 200.140441 148.9
[M+CH3COO]- 214.156091 177.9
[M+Na-2H]- 176.116906 139.5
[M]+ 155.14169142 136.6
[M]- 155.14278858 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