CID 3022562

Ns00124518

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1(CCCC2=C1CC(CC2)C(OC)OC)C
InChI
InChI=1S/C15H26O2/c1-15(2)9-5-6-11-7-8-12(10-13(11)15)14(16-3)17-4/h12,14H,5-10H2,1-4H3
InChIKey
PUMUZYGDXAOFJM-UHFFFAOYSA-N
Compound name
2-(dimethoxymethyl)-8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 158.0
[M+Na]+ 261.182498 162.6
[M-H]- 237.186004 161.3
[M+NH4]+ 256.227103 178.8
[M+K]+ 277.156438 161.1
[M+H-H2O]+ 221.190540 152.2
[M+HCOO]- 283.191481 174.0
[M+CH3COO]- 297.207131 195.0
[M+Na-2H]- 259.167946 160.7
[M]+ 238.19273142 156.3
[M]- 238.19382858 156.3
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.