CID 137855

4-propylheptane

Structural Information

Molecular Formula
C10H22
SMILES
CCCC(CCC)CCC
InChI
InChI=1S/C10H22/c1-4-7-10(8-5-2)9-6-3/h10H,4-9H2,1-3H3
InChIKey
ABYGSZMCWVXFCQ-UHFFFAOYSA-N
Compound name
4-propylheptane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2354
Patents

142.17215 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.17943 136.0
[M+Na]+ 165.16137 146.5
[M+NH4]+ 160.20597 144.7
[M+K]+ 181.13531 139.4
[M-H]- 141.16487 136.5
[M+Na-2H]- 163.14682 139.9
[M]+ 142.17160 137.6
[M]- 142.17270 137.6
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