CID 200991

1-methyl-4-phenylpiperazine

Structural Information

Molecular Formula
C11H16N2
SMILES
CN1CCN(CC1)C2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c1-12-7-9-13(10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKey
WQDDXVGJRSTLED-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2640
Patents

176.13135 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 140.0
[M+Na]+ 199.12057 145.8
[M-H]- 175.12407 143.1
[M+NH4]+ 194.16517 157.1
[M+K]+ 215.09451 143.0
[M+H-H2O]+ 159.12861 131.4
[M+HCOO]- 221.12955 158.4
[M+CH3COO]- 235.14520 151.8
[M+Na-2H]- 197.10602 146.0
[M]+ 176.13080 135.1
[M]- 176.13190 135.1
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