CID 3015339

1,8-dimethoxy-p-menthane

Structural Information

Molecular Formula
C12H24O2
SMILES
CC1(CCC(CC1)C(C)(C)OC)OC
InChI
InChI=1S/C12H24O2/c1-11(2,13-4)10-6-8-12(3,14-5)9-7-10/h10H,6-9H2,1-5H3
InChIKey
GGRDCTPZRBUOJU-UHFFFAOYSA-N
Compound name
1-methoxy-4-(2-methoxypropan-2-yl)-1-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

200.17763 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 147.7
[M+Na]+ 223.166848 153.0
[M-H]- 199.170354 150.7
[M+NH4]+ 218.211453 169.2
[M+K]+ 239.140788 152.9
[M+H-H2O]+ 183.174890 143.3
[M+HCOO]- 245.175831 165.8
[M+CH3COO]- 259.191481 186.6
[M+Na-2H]- 221.152296 152.7
[M]+ 200.17708142 147.6
[M]- 200.17817858 147.6
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