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]+ 188.175736 147.0
[M+Na]+ 210.157678 150.7
[M-H]- 186.161184 144.8
[M+NH4]+ 205.202283 162.6
[M+K]+ 226.131618 148.9
[M+H-H2O]+ 170.165720 139.4
[M+HCOO]- 232.166661 162.6
[M+CH3COO]- 246.182311 183.4
[M+Na-2H]- 208.143126 148.9
[M]+ 187.16791142 141.1
[M]- 187.16900858 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.