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
4
Annotation Hits

0
References

3238
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 137.4
[M+Na]+ 165.16137 142.8
[M-H]- 141.16487 137.2
[M+NH4]+ 160.20597 159.4
[M+K]+ 181.13531 142.2
[M+H-H2O]+ 125.16941 132.7
[M+HCOO]- 187.17035 158.9
[M+CH3COO]- 201.18600 180.4
[M+Na-2H]- 163.14682 141.3
[M]+ 142.17160 139.6
[M]- 142.17270 139.6
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