CID 469987

1,4-piperazinediethanol, beta,beta'-diethyl-, d-

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CCC(CO)N1CCN(CC1)C(CC)CO
InChI
InChI=1S/C12H26N2O2/c1-3-11(9-15)13-5-7-14(8-6-13)12(4-2)10-16/h11-12,15-16H,3-10H2,1-2H3
InChIKey
LESVKKZDIIVDFA-UHFFFAOYSA-N
Compound name
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.19943 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.20671 159.8
[M+Na]+ 253.18865 162.3
[M-H]- 229.19215 156.3
[M+NH4]+ 248.23325 173.5
[M+K]+ 269.16259 160.3
[M+H-H2O]+ 213.19669 152.3
[M+HCOO]- 275.19763 171.7
[M+CH3COO]- 289.21328 188.6
[M+Na-2H]- 251.17410 159.2
[M]+ 230.19888 155.7
[M]- 230.19998 155.7
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

No patent data available for this compound.