CID 14324892

1-(3-methylpiperazin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C8H18N2O
SMILES
CC1CN(CCN1)CC(C)O
InChI
InChI=1S/C8H18N2O/c1-7-5-10(4-3-9-7)6-8(2)11/h7-9,11H,3-6H2,1-2H3
InChIKey
HMDZCMMVIPVAFY-UHFFFAOYSA-N
Compound name
1-(3-methylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 139.2
[M+Na]+ 181.13112 143.8
[M-H]- 157.13462 136.4
[M+NH4]+ 176.17572 156.0
[M+K]+ 197.10506 141.8
[M+H-H2O]+ 141.13916 132.6
[M+HCOO]- 203.14010 153.3
[M+CH3COO]- 217.15575 173.5
[M+Na-2H]- 179.11657 141.9
[M]+ 158.14135 132.9
[M]- 158.14245 132.9
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