CID 205047

1-piperazinecarboxamidine, 4-(m-tolyl)-, hemisulfate

Structural Information

Molecular Formula
C12H18N4
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)C(=N)N
InChI
InChI=1S/C12H18N4/c1-10-3-2-4-11(9-10)15-5-7-16(8-6-15)12(13)14/h2-4,9H,5-8H2,1H3,(H3,13,14)
InChIKey
PBPAHFQRYYPXCM-UHFFFAOYSA-N
Compound name
4-(3-methylphenyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16043 152.1
[M+Na]+ 241.14237 156.9
[M-H]- 217.14587 155.0
[M+NH4]+ 236.18697 166.8
[M+K]+ 257.11631 153.1
[M+H-H2O]+ 201.15041 143.2
[M+HCOO]- 263.15135 170.8
[M+CH3COO]- 277.16700 193.3
[M+Na-2H]- 239.12782 155.5
[M]+ 218.15260 144.2
[M]- 218.15370 144.2
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.