CID 7138432

2-[4-(4-aminobutyl)piperazin-1-yl]ethan-1-ol

Structural Information

Molecular Formula
C10H23N3O
SMILES
C1CN(CCN1CCCCN)CCO
InChI
InChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2
InChIKey
TUKFFSGMQJSJQQ-UHFFFAOYSA-N
Compound name
2-[4-(4-aminobutyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

201.18411 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.19139 150.7
[M+Na]+ 224.17333 154.2
[M-H]- 200.17683 148.2
[M+NH4]+ 219.21793 165.8
[M+K]+ 240.14727 151.7
[M+H-H2O]+ 184.18137 142.8
[M+HCOO]- 246.18231 167.0
[M+CH3COO]- 260.19796 185.6
[M+Na-2H]- 222.15878 153.4
[M]+ 201.18356 145.8
[M]- 201.18466 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe