CID 142729

Methyl piperazine-1-carboxylate

Structural Information

Molecular Formula
C6H12N2O2
SMILES
COC(=O)N1CCNCC1
InChI
InChI=1S/C6H12N2O2/c1-10-6(9)8-4-2-7-3-5-8/h7H,2-5H2,1H3
InChIKey
ZPJZSEHCMJYUPI-UHFFFAOYSA-N
Compound name
methyl piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1978
Patents

144.08987 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 131.6
[M+Na]+ 167.079088 136.9
[M-H]- 143.082594 130.3
[M+NH4]+ 162.123693 149.3
[M+K]+ 183.053028 136.2
[M+H-H2O]+ 127.087130 124.7
[M+HCOO]- 189.088071 148.3
[M+CH3COO]- 203.103721 168.8
[M+Na-2H]- 165.064536 136.6
[M]+ 144.08932142 126.6
[M]- 144.09041858 126.6
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