CID 3040514

Lr428

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC1(OC2=CC=CC=C2O1)CCN3CCN(CC3)CCO
InChI
InChI=1S/C16H24N2O3/c1-16(20-14-4-2-3-5-15(14)21-16)6-7-17-8-10-18(11-9-17)12-13-19/h2-5,19H,6-13H2,1H3
InChIKey
JKUSZULRQJXBOZ-UHFFFAOYSA-N
Compound name
2-[4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 169.6
[M+Na]+ 315.16790 175.0
[M-H]- 291.17140 173.2
[M+NH4]+ 310.21250 183.4
[M+K]+ 331.14184 173.5
[M+H-H2O]+ 275.17594 161.2
[M+HCOO]- 337.17688 182.6
[M+CH3COO]- 351.19253 179.3
[M+Na-2H]- 313.15335 173.1
[M]+ 292.17813 168.9
[M]- 292.17923 168.9
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