CID 12198453

4-benzylpiperazin-1-amine

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CN(CCN1CC2=CC=CC=C2)N
InChI
InChI=1S/C11H17N3/c12-14-8-6-13(7-9-14)10-11-4-2-1-3-5-11/h1-5H,6-10,12H2
InChIKey
SJMJMGVFFRSXOG-UHFFFAOYSA-N
Compound name
4-benzylpiperazin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

191.14224 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.149516 144.1
[M+Na]+ 214.131458 149.1
[M-H]- 190.134964 146.6
[M+NH4]+ 209.176063 160.0
[M+K]+ 230.105398 145.7
[M+H-H2O]+ 174.139500 135.2
[M+HCOO]- 236.140441 163.0
[M+CH3COO]- 250.156091 155.1
[M+Na-2H]- 212.116906 149.6
[M]+ 191.14169142 137.6
[M]- 191.14278858 137.6
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