CID 3088061

116876-96-1

Structural Information

Molecular Formula
C11H18N3
SMILES
C[N+]1(CCN(CC1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H18N3/c1-14(12)9-7-13(8-10-14)11-5-3-2-4-6-11/h2-6H,7-10,12H2,1H3/q+1
InChIKey
FGSSTQYLWJXGBM-UHFFFAOYSA-N
Compound name
1-methyl-4-phenylpiperazin-1-ium-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.15007 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.157346 142.4
[M+Na]+ 215.139288 148.1
[M-H]- 191.142794 145.6
[M+NH4]+ 210.183893 160.2
[M+K]+ 231.113228 139.4
[M+H-H2O]+ 175.147330 136.9
[M+HCOO]- 237.148271 160.8
[M+CH3COO]- 251.163921 177.5
[M+Na-2H]- 213.124736 151.2
[M]+ 192.14952142 134.5
[M]- 192.15061858 134.5
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

No patent data available for this compound.