CID 14062

2,2-dimethylheptane

Structural Information

Molecular Formula
C9H20
SMILES
CCCCCC(C)(C)C
InChI
InChI=1S/C9H20/c1-5-6-7-8-9(2,3)4/h5-8H2,1-4H3
InChIKey
PSABUFWDVWCFDP-UHFFFAOYSA-N
Compound name
2,2-dimethylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10324
Patents

128.1565 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.163776 132.1
[M+Na]+ 151.145718 138.7
[M-H]- 127.149224 132.4
[M+NH4]+ 146.190323 154.9
[M+K]+ 167.119658 138.3
[M+H-H2O]+ 111.153760 128.3
[M+HCOO]- 173.154701 153.5
[M+CH3COO]- 187.170351 176.2
[M+Na-2H]- 149.131166 138.4
[M]+ 128.15595142 134.1
[M]- 128.15704858 134.1
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.