CID 3269221

1-formyl-4-methylpiperazine

Structural Information

Molecular Formula
C6H12N2O
SMILES
CN1CCN(CC1)C=O
InChI
InChI=1S/C6H12N2O/c1-7-2-4-8(6-9)5-3-7/h6H,2-5H2,1H3
InChIKey
JQTMGOLZSBTZMS-UHFFFAOYSA-N
Compound name
4-methylpiperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3716
Patents

128.09496 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 126.9
[M+Na]+ 151.08418 133.7
[M-H]- 127.08768 127.2
[M+NH4]+ 146.12878 146.3
[M+K]+ 167.05812 133.0
[M+H-H2O]+ 111.09222 120.0
[M+HCOO]- 173.09316 145.8
[M+CH3COO]- 187.10881 171.0
[M+Na-2H]- 149.06963 132.9
[M]+ 128.09441 123.5
[M]- 128.09551 123.5
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