CID 45115682

Methyl 1-acetylpiperazine-2-carboxylate dihydrochloride

Structural Information

Molecular Formula
C8H14N2O3
SMILES
CC(=O)N1CCNCC1C(=O)OC
InChI
InChI=1S/C8H14N2O3/c1-6(11)10-4-3-9-5-7(10)8(12)13-2/h7,9H,3-5H2,1-2H3
InChIKey
QSVNWNACIFWWIP-UHFFFAOYSA-N
Compound name
methyl 1-acetylpiperazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

186.10045 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.10773 141.4
[M+Na]+ 209.08967 146.9
[M-H]- 185.09317 140.3
[M+NH4]+ 204.13427 157.6
[M+K]+ 225.06361 146.1
[M+H-H2O]+ 169.09771 134.5
[M+HCOO]- 231.09865 156.9
[M+CH3COO]- 245.11430 178.1
[M+Na-2H]- 207.07512 143.6
[M]+ 186.09990 137.8
[M]- 186.10100 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe