CID 2756656

(4-benzylpiperazin-2-yl)methanol

Structural Information

Molecular Formula
C12H18N2O
SMILES
C1CN(CC(N1)CO)CC2=CC=CC=C2
InChI
InChI=1S/C12H18N2O/c15-10-12-9-14(7-6-13-12)8-11-4-2-1-3-5-11/h1-5,12-13,15H,6-10H2
InChIKey
PJMFGDYBTJEEDP-UHFFFAOYSA-N
Compound name
(4-benzylpiperazin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

206.1419 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.14918 148.8
[M+Na]+ 229.13112 153.2
[M-H]- 205.13462 148.9
[M+NH4]+ 224.17572 163.2
[M+K]+ 245.10506 148.8
[M+H-H2O]+ 189.13916 140.4
[M+HCOO]- 251.14010 164.0
[M+CH3COO]- 265.15575 180.4
[M+Na-2H]- 227.11657 153.3
[M]+ 206.14135 141.9
[M]- 206.14245 141.9
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