CID 12654592

1-(4-methylpiperazin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C8H18N2O
SMILES
CC(CN1CCN(CC1)C)O
InChI
InChI=1S/C8H18N2O/c1-8(11)7-10-5-3-9(2)4-6-10/h8,11H,3-7H2,1-2H3
InChIKey
PCAFNJDUSMKKHJ-UHFFFAOYSA-N
Compound name
1-(4-methylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

230
Patents

158.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.14918 137.5
[M+Na]+ 181.13112 147.4
[M+NH4]+ 176.17572 144.9
[M+K]+ 197.10506 142.4
[M-H]- 157.13462 137.4
[M+Na-2H]- 179.11657 141.1
[M]+ 158.14135 138.5
[M]- 158.14245 138.5
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