CID 534451

2-(3-methylbutyl)oxirane

Structural Information

Molecular Formula
C7H14O
SMILES
CC(C)CCC1CO1
InChI
InChI=1S/C7H14O/c1-6(2)3-4-7-5-8-7/h6-7H,3-5H2,1-2H3
InChIKey
XXVUOMFVRJIVLH-UHFFFAOYSA-N
Compound name
2-(3-methylbutyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

333
Patents

114.10446 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.11174 124.0
[M+Na]+ 137.09368 136.5
[M+NH4]+ 132.13828 133.4
[M+K]+ 153.06762 132.7
[M-H]- 113.09718 133.4
[M+Na-2H]- 135.07913 131.6
[M]+ 114.10391 129.5
[M]- 114.10501 129.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe