CID 6453585

4-methylpiperazine-1-carboxylic acid

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CN1CCN(CC1)C(=O)O
InChI
InChI=1S/C6H12N2O2/c1-7-2-4-8(5-3-7)6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
KNWWGBNAUNTSRV-UHFFFAOYSA-N
Compound name
4-methylpiperazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1392
Patents

144.08987 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.09715 131.0
[M+Na]+ 167.07909 137.2
[M-H]- 143.08259 130.1
[M+NH4]+ 162.12369 149.0
[M+K]+ 183.05303 136.6
[M+H-H2O]+ 127.08713 124.4
[M+HCOO]- 189.08807 147.7
[M+CH3COO]- 203.10372 170.6
[M+Na-2H]- 165.06454 135.4
[M]+ 144.08932 126.6
[M]- 144.09042 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