CID 103795

53503-90-5

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CC1CN(C(CN1CC(C)O)C)CC(C)O
InChI
InChI=1S/C12H26N2O2/c1-9-5-14(8-12(4)16)10(2)6-13(9)7-11(3)15/h9-12,15-16H,5-8H2,1-4H3
InChIKey
DTQIXUAQWTUJSV-UHFFFAOYSA-N
Compound name
1-[4-(2-hydroxypropyl)-2,5-dimethylpiperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

230.19943 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.20671 159.1
[M+Na]+ 253.18865 163.7
[M-H]- 229.19215 156.5
[M+NH4]+ 248.23325 173.6
[M+K]+ 269.16259 161.7
[M+H-H2O]+ 213.19669 152.4
[M+HCOO]- 275.19763 171.1
[M+CH3COO]- 289.21328 191.1
[M+Na-2H]- 251.17410 157.2
[M]+ 230.19888 155.9
[M]- 230.19998 155.9
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