CID 3067593

81746-13-6

Structural Information

Molecular Formula
C13H20N4
SMILES
C1CN(CCN1CCC2=CC=CC=C2)C(=N)N
InChI
InChI=1S/C13H20N4/c14-13(15)17-10-8-16(9-11-17)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2,(H3,14,15)
InChIKey
LDYMDAHCRHVHIM-UHFFFAOYSA-N
Compound name
4-(2-phenylethyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.1688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.17608 155.7
[M+Na]+ 255.15802 159.0
[M-H]- 231.16152 158.0
[M+NH4]+ 250.20262 169.5
[M+K]+ 271.13196 155.0
[M+H-H2O]+ 215.16606 146.3
[M+HCOO]- 277.16700 174.1
[M+CH3COO]- 291.18265 195.1
[M+Na-2H]- 253.14347 159.4
[M]+ 232.16825 147.8
[M]- 232.16935 147.8
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.