CID 64863

Cyclamen aldehyde dimethyl acetal

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(C)C1=CC=C(C=C1)CC(C)C(OC)OC
InChI
InChI=1S/C15H24O2/c1-11(2)14-8-6-13(7-9-14)10-12(3)15(16-4)17-5/h6-9,11-12,15H,10H2,1-5H3
InChIKey
ZGNMAGBUXLWHOL-UHFFFAOYSA-N
Compound name
1-(3,3-dimethoxy-2-methylpropyl)-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

236.17763 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.18491 158.2
[M+Na]+ 259.16685 163.2
[M-H]- 235.17035 161.3
[M+NH4]+ 254.21145 176.1
[M+K]+ 275.14079 162.4
[M+H-H2O]+ 219.17489 151.8
[M+HCOO]- 281.17583 178.3
[M+CH3COO]- 295.19148 197.2
[M+Na-2H]- 257.15230 158.8
[M]+ 236.17708 161.7
[M]- 236.17818 161.7
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