CID 25888

2-(5,6,7,8-tetrahydro-1-naphthyl)-2-imidazoline

Structural Information

Molecular Formula
C13H16N2
SMILES
C1CCC2=C(C1)C=CC=C2C3=NCCN3
InChI
InChI=1S/C13H16N2/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13/h3,5,7H,1-2,4,6,8-9H2,(H,14,15)
InChIKey
QRNSHUKDRFLZOX-UHFFFAOYSA-N
Compound name
2-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13135 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 145.3
[M+Na]+ 223.12057 151.2
[M-H]- 199.12407 147.9
[M+NH4]+ 218.16517 163.4
[M+K]+ 239.09451 146.3
[M+H-H2O]+ 183.12861 136.9
[M+HCOO]- 245.12955 162.2
[M+CH3COO]- 259.14520 156.4
[M+Na-2H]- 221.10602 149.8
[M]+ 200.13080 138.8
[M]- 200.13190 138.8
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

patents stripe