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

210
Patents

158.10553 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 135.2
[M+Na]+ 181.094748 141.1
[M-H]- 157.098254 133.9
[M+NH4]+ 176.139353 152.6
[M+K]+ 197.068688 139.7
[M+H-H2O]+ 141.102790 128.2
[M+HCOO]- 203.103731 152.5
[M+CH3COO]- 217.119381 173.4
[M+Na-2H]- 179.080196 140.2
[M]+ 158.10498142 131.7
[M]- 158.10607858 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