CID 91965

1-(2-methylphenyl)piperazine

Structural Information

Molecular Formula
C11H16N2
SMILES
CC1=CC=CC=C1N2CCNCC2
InChI
InChI=1S/C11H16N2/c1-10-4-2-3-5-11(10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey
WICKLEOONJPMEQ-UHFFFAOYSA-N
Compound name
1-(2-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2084
Patents

176.13135 Da
Monoisotopic Mass

2.2
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