CID 23544

3,3,5-trimethylheptane

Structural Information

Molecular Formula
C10H22
SMILES
CCC(C)CC(C)(C)CC
InChI
InChI=1S/C10H22/c1-6-9(3)8-10(4,5)7-2/h9H,6-8H2,1-5H3
InChIKey
VRVRZZWPKABUOE-UHFFFAOYSA-N
Compound name
3,3,5-trimethylheptane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

645
Patents

142.17215 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.179426 136.4
[M+Na]+ 165.161368 142.3
[M-H]- 141.164874 136.6
[M+NH4]+ 160.205973 158.6
[M+K]+ 181.135308 142.1
[M+H-H2O]+ 125.169410 132.4
[M+HCOO]- 187.170351 156.5
[M+CH3COO]- 201.186001 180.7
[M+Na-2H]- 163.146816 140.9
[M]+ 142.17160142 138.2
[M]- 142.17269858 138.2
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