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

2
Patents

158.1419 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 139.2
[M+Na]+ 181.131118 143.8
[M-H]- 157.134624 136.4
[M+NH4]+ 176.175723 156.0
[M+K]+ 197.105058 141.8
[M+H-H2O]+ 141.139160 132.6
[M+HCOO]- 203.140101 153.3
[M+CH3COO]- 217.155751 173.5
[M+Na-2H]- 179.116566 141.9
[M]+ 158.14135142 132.9
[M]- 158.14244858 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