CID 67440

Spiro[1,3-benzodioxole-2,1'-cyclohexane]

Structural Information

Molecular Formula
C12H14O2
SMILES
C1CCC2(CC1)OC3=CC=CC=C3O2
InChI
InChI=1S/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
SPXULWFZNXFRHI-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,1'-cyclohexane]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

62
Patents

190.09938 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 138.9
[M+Na]+ 213.08860 145.7
[M-H]- 189.09210 146.2
[M+NH4]+ 208.13320 160.6
[M+K]+ 229.06254 145.3
[M+H-H2O]+ 173.09664 133.3
[M+HCOO]- 235.09758 157.4
[M+CH3COO]- 249.11323 152.3
[M+Na-2H]- 211.07405 147.5
[M]+ 190.09883 136.2
[M]- 190.09993 136.2
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