CID 10867702

3,3-bis(methoxymethyl)-2,6-dimethylheptane

Structural Information

Molecular Formula
C13H28O2
SMILES
CC(C)CCC(COC)(COC)C(C)C
InChI
InChI=1S/C13H28O2/c1-11(2)7-8-13(9-14-5,10-15-6)12(3)4/h11-12H,7-10H2,1-6H3
InChIKey
BHPDSAAGSUWVMP-UHFFFAOYSA-N
Compound name
3,3-bis(methoxymethyl)-2,6-dimethylheptane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4153
Patents

216.20892 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.21620 157.1
[M+Na]+ 239.19814 161.5
[M-H]- 215.20164 156.7
[M+NH4]+ 234.24274 176.1
[M+K]+ 255.17208 161.8
[M+H-H2O]+ 199.20618 152.1
[M+HCOO]- 261.20712 175.6
[M+CH3COO]- 275.22277 194.3
[M+Na-2H]- 237.18359 158.7
[M]+ 216.20837 162.3
[M]- 216.20947 162.3
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.