CID 9942213

4-(2-hydroxyethyl)piperazine-1-carbaldehyde

Structural Information

Molecular Formula
C7H14N2O2
SMILES
C1CN(CCN1CCO)C=O
InChI
InChI=1S/C7H14N2O2/c10-6-5-8-1-3-9(7-11)4-2-8/h7,10H,1-6H2
InChIKey
IINWNNKUXOSZAI-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)piperazine-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
Patents

158.10553 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 135.2
[M+Na]+ 181.09475 141.1
[M-H]- 157.09825 133.9
[M+NH4]+ 176.13935 152.6
[M+K]+ 197.06869 139.7
[M+H-H2O]+ 141.10279 128.2
[M+HCOO]- 203.10373 152.5
[M+CH3COO]- 217.11938 173.4
[M+Na-2H]- 179.08020 140.2
[M]+ 158.10498 131.7
[M]- 158.10608 131.7
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