CID 97925

3,3'-(2-methylpiperazine-1,4-diyl)dipropan-2-ol

Structural Information

Molecular Formula
C11H24N2O2
SMILES
CC1CN(CCN1CC(C)O)CC(C)O
InChI
InChI=1S/C11H24N2O2/c1-9-6-12(7-10(2)14)4-5-13(9)8-11(3)15/h9-11,14-15H,4-8H2,1-3H3
InChIKey
GPXSTLAIBOEFST-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

423
Patents

216.18378 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.191056 155.1
[M+Na]+ 239.172998 159.0
[M-H]- 215.176504 152.2
[M+NH4]+ 234.217603 169.7
[M+K]+ 255.146938 157.3
[M+H-H2O]+ 199.181040 148.1
[M+HCOO]- 261.181981 167.4
[M+CH3COO]- 275.197631 186.8
[M+Na-2H]- 237.158446 154.3
[M]+ 216.18323142 151.1
[M]- 216.18432858 151.1
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