CID 76675584

(1-benzyl-4-methylpiperazin-2-yl)methanol

Structural Information

Molecular Formula
C13H20N2O
SMILES
CN1CCN(C(C1)CO)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c1-14-7-8-15(13(10-14)11-16)9-12-5-3-2-4-6-12/h2-6,13,16H,7-11H2,1H3
InChIKey
JFTRITAAICMOTB-UHFFFAOYSA-N
Compound name
(1-benzyl-4-methylpiperazin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

220.15756 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 153.0
[M+Na]+ 243.146778 158.4
[M-H]- 219.150284 154.7
[M+NH4]+ 238.191383 167.9
[M+K]+ 259.120718 154.6
[M+H-H2O]+ 203.154820 144.4
[M+HCOO]- 265.155761 169.4
[M+CH3COO]- 279.171411 187.1
[M+Na-2H]- 241.132226 156.6
[M]+ 220.15701142 148.7
[M]- 220.15810858 148.7
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