CID 20588987

2,2,3,3-tetramethylheptane

Structural Information

Molecular Formula
C11H24
SMILES
CCCCC(C)(C)C(C)(C)C
InChI
InChI=1S/C11H24/c1-7-8-9-11(5,6)10(2,3)4/h7-9H2,1-6H3
InChIKey
YPGGGWSLWOECQF-UHFFFAOYSA-N
Compound name
2,2,3,3-tetramethylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

156.1878 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.19508 140.2
[M+Na]+ 179.17702 146.5
[M-H]- 155.18052 140.5
[M+NH4]+ 174.22162 162.1
[M+K]+ 195.15096 146.0
[M+H-H2O]+ 139.18506 136.7
[M+HCOO]- 201.18600 159.4
[M+CH3COO]- 215.20165 182.7
[M+Na-2H]- 177.16247 146.2
[M]+ 156.18725 142.5
[M]- 156.18835 142.5
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