CID 102957

2-methyl-3-pentyloxirane

Structural Information

Molecular Formula
C8H16O
SMILES
CCCCCC1C(O1)C
InChI
InChI=1S/C8H16O/c1-3-4-5-6-8-7(2)9-8/h7-8H,3-6H2,1-2H3
InChIKey
SNAUWGUVQBOHMZ-UHFFFAOYSA-N
Compound name
2-methyl-3-pentyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

638
Patents

128.12012 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 128.5
[M+Na]+ 151.10934 137.9
[M-H]- 127.11284 134.0
[M+NH4]+ 146.15394 145.1
[M+K]+ 167.08328 137.6
[M+H-H2O]+ 111.11738 122.6
[M+HCOO]- 173.11832 151.2
[M+CH3COO]- 187.13397 178.3
[M+Na-2H]- 149.09479 135.6
[M]+ 128.11957 134.1
[M]- 128.12067 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

literature stripe

Patent stripe

patents stripe