CID 2737384

1-(3,4-dimethylbenzyl)piperazine

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1=C(C=C(C=C1)CN2CCNCC2)C
InChI
InChI=1S/C13H20N2/c1-11-3-4-13(9-12(11)2)10-15-7-5-14-6-8-15/h3-4,9,14H,5-8,10H2,1-2H3
InChIKey
PXHRDWNRXRGHDR-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

204.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 149.8
[M+Na]+ 227.15186 155.2
[M-H]- 203.15536 151.5
[M+NH4]+ 222.19646 165.4
[M+K]+ 243.12580 150.9
[M+H-H2O]+ 187.15990 141.3
[M+HCOO]- 249.16084 166.0
[M+CH3COO]- 263.17649 185.0
[M+Na-2H]- 225.13731 153.4
[M]+ 204.16209 144.1
[M]- 204.16319 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

No literature data available for this compound.

Patent stripe

patents stripe