CID 89079153

2-(2-cyclopropylethyl)oxirane

Structural Information

Molecular Formula
C7H12O
SMILES
C1CC1CCC2CO2
InChI
InChI=1S/C7H12O/c1-2-6(1)3-4-7-5-8-7/h6-7H,1-5H2
InChIKey
KILGRRVMDLCEQN-UHFFFAOYSA-N
Compound name
2-(2-cyclopropylethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

112.08881 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.096086 133.6
[M+Na]+ 135.078028 141.3
[M-H]- 111.081534 141.6
[M+NH4]+ 130.122633 143.6
[M+K]+ 151.051968 142.2
[M+H-H2O]+ 95.086070 127.2
[M+HCOO]- 157.087011 153.8
[M+CH3COO]- 171.102661 183.9
[M+Na-2H]- 133.063476 139.7
[M]+ 112.08826142 138.1
[M]- 112.08935858 138.1
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