CID 723336

Spiro[1,3-benzodioxole-2,1'-cyclohexan]-5-amine

Structural Information

Molecular Formula
C12H15NO2
SMILES
C1CCC2(CC1)OC3=C(O2)C=C(C=C3)N
InChI
InChI=1S/C12H15NO2/c13-9-4-5-10-11(8-9)15-12(14-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7,13H2
InChIKey
ZGUHEEOHWIVGOA-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1
Patents

205.11028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 142.9
[M+Na]+ 228.099498 149.7
[M-H]- 204.103004 150.0
[M+NH4]+ 223.144103 163.7
[M+K]+ 244.073438 148.8
[M+H-H2O]+ 188.107540 137.2
[M+HCOO]- 250.108481 161.8
[M+CH3COO]- 264.124131 155.9
[M+Na-2H]- 226.084946 150.4
[M]+ 205.10973142 139.1
[M]- 205.11082858 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe