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

1317
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 140.7
[M+Na]+ 199.12057 146.0
[M-H]- 175.12407 142.4
[M+NH4]+ 194.16517 157.1
[M+K]+ 215.09451 142.3
[M+H-H2O]+ 159.12861 132.4
[M+HCOO]- 221.12955 157.6
[M+CH3COO]- 235.14520 151.7
[M+Na-2H]- 197.10602 146.2
[M]+ 176.13080 133.9
[M]- 176.13190 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