CID 2759304

56323-03-6

Structural Information

Molecular Formula
C9H20N2O
SMILES
CN1CCN(CC1)CCCCO
InChI
InChI=1S/C9H20N2O/c1-10-5-7-11(8-6-10)4-2-3-9-12/h12H,2-9H2,1H3
InChIKey
GSFOUKVQYFLTRA-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

261
Patents

172.15756 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.16484 142.6
[M+Na]+ 195.14678 147.4
[M-H]- 171.15028 140.9
[M+NH4]+ 190.19138 159.6
[M+K]+ 211.12072 145.6
[M+H-H2O]+ 155.15482 135.3
[M+HCOO]- 217.15576 158.9
[M+CH3COO]- 231.17141 178.3
[M+Na-2H]- 193.13223 146.5
[M]+ 172.15701 139.2
[M]- 172.15811 139.2
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