CID 13576225

4-[2-(4-methylpiperazin-1-yl)ethoxy]phenol

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CN1CCN(CC1)CCOC2=CC=C(C=C2)O
InChI
InChI=1S/C13H20N2O2/c1-14-6-8-15(9-7-14)10-11-17-13-4-2-12(16)3-5-13/h2-5,16H,6-11H2,1H3
InChIKey
MMPWQCVGACEENP-UHFFFAOYSA-N
Compound name
4-[2-(4-methylpiperazin-1-yl)ethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.0
[M+Na]+ 259.14170 161.2
[M-H]- 235.14520 157.7
[M+NH4]+ 254.18630 170.1
[M+K]+ 275.11564 158.0
[M+H-H2O]+ 219.14974 147.1
[M+HCOO]- 281.15068 172.6
[M+CH3COO]- 295.16633 189.2
[M+Na-2H]- 257.12715 159.6
[M]+ 236.15193 153.1
[M]- 236.15303 153.1
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.