CID 2760009

1-methyl-3-phenylpiperazine

Structural Information

Molecular Formula
C11H16N2
SMILES
CN1CCNC(C1)C2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c1-13-8-7-12-11(9-13)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3
InChIKey
IRMBVBDXXYXPEW-UHFFFAOYSA-N
Compound name
1-methyl-3-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

469
Patents

176.13135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 140.7
[M+Na]+ 199.120568 146.0
[M-H]- 175.124074 142.4
[M+NH4]+ 194.165173 157.1
[M+K]+ 215.094508 142.3
[M+H-H2O]+ 159.128610 132.4
[M+HCOO]- 221.129551 157.6
[M+CH3COO]- 235.145201 151.7
[M+Na-2H]- 197.106016 146.2
[M]+ 176.13080142 133.9
[M]- 176.13189858 133.9
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