CID 5116563

1-((6-methylpyridin-2-yl)methyl)piperazine trihydrochloride

Structural Information

Molecular Formula
C11H17N3
SMILES
CC1=NC(=CC=C1)CN2CCNCC2
InChI
InChI=1S/C11H17N3/c1-10-3-2-4-11(13-10)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3
InChIKey
QAQSWCKYRYGATB-UHFFFAOYSA-N
Compound name
1-[(6-methylpyridin-2-yl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

191.14224 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 145.8
[M+Na]+ 214.13146 151.2
[M-H]- 190.13496 145.9
[M+NH4]+ 209.17606 160.2
[M+K]+ 230.10540 147.1
[M+H-H2O]+ 174.13950 136.5
[M+HCOO]- 236.14044 161.3
[M+CH3COO]- 250.15609 156.0
[M+Na-2H]- 212.11691 151.2
[M]+ 191.14169 139.5
[M]- 191.14279 139.5
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