CID 11041581

190017-89-1

Structural Information

Molecular Formula
C11H17N3
SMILES
C1CN(CCN1)C2=CC=CC=C2CN
InChI
InChI=1S/C11H17N3/c12-9-10-3-1-2-4-11(10)14-7-5-13-6-8-14/h1-4,13H,5-9,12H2
InChIKey
XWAJJQBDGFSQLE-UHFFFAOYSA-N
Compound name
(2-piperazin-1-ylphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

191.14224 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 144.5
[M+Na]+ 214.13146 149.1
[M-H]- 190.13496 145.6
[M+NH4]+ 209.17606 159.7
[M+K]+ 230.10540 144.7
[M+H-H2O]+ 174.13950 135.9
[M+HCOO]- 236.14044 161.8
[M+CH3COO]- 250.15609 154.7
[M+Na-2H]- 212.11691 149.5
[M]+ 191.14169 136.1
[M]- 191.14279 136.1
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