CID 82405276

2309474-62-0

Structural Information

Molecular Formula
C9H21N3O
SMILES
CN1CCN(CC1)C(CCN)CO
InChI
InChI=1S/C9H21N3O/c1-11-4-6-12(7-5-11)9(8-13)2-3-10/h9,13H,2-8,10H2,1H3
InChIKey
TWODBALBPXSRCT-UHFFFAOYSA-N
Compound name
4-amino-2-(4-methylpiperazin-1-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.16846 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.17574 147.0
[M+Na]+ 210.15768 150.7
[M-H]- 186.16118 144.8
[M+NH4]+ 205.20228 162.6
[M+K]+ 226.13162 148.9
[M+H-H2O]+ 170.16572 139.4
[M+HCOO]- 232.16666 162.6
[M+CH3COO]- 246.18231 183.4
[M+Na-2H]- 208.14313 148.9
[M]+ 187.16791 141.1
[M]- 187.16901 141.1
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

No patent data available for this compound.