CID 54592967

2-(3-methylphenyl)-2-(piperazin-1-yl)ethan-1-ol

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC1=CC(=CC=C1)C(CO)N2CCNCC2
InChI
InChI=1S/C13H20N2O/c1-11-3-2-4-12(9-11)13(10-16)15-7-5-14-6-8-15/h2-4,9,13-14,16H,5-8,10H2,1H3
InChIKey
KNVPXFDWGVBHFO-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-2-piperazin-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 153.4
[M+Na]+ 243.146778 157.1
[M-H]- 219.150284 153.4
[M+NH4]+ 238.191383 167.1
[M+K]+ 259.120718 153.0
[M+H-H2O]+ 203.154820 145.0
[M+HCOO]- 265.155761 167.3
[M+CH3COO]- 279.171411 184.3
[M+Na-2H]- 241.132226 156.2
[M]+ 220.15701142 146.3
[M]- 220.15810858 146.3
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.