CID 83111

1-(3-methylphenyl)piperazine

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1=CC(=CC=C1)N2CCNCC2
InChI
InChI=1S/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
InChIKey
JIWHIRLNKIUYSM-UHFFFAOYSA-N
Compound name
1-(3-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1271
Patents

176.13135 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.13863 141.2
[M+Na]+ 199.12057 154.5
[M+NH4]+ 194.16517 150.2
[M+K]+ 215.09451 146.9
[M-H]- 175.12407 144.7
[M+Na-2H]- 197.10602 149.3
[M]+ 176.13080 144.1
[M]- 176.13190 144.1
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