CID 178200132

2-(2,2-dimethylcyclopropyl)oxirane

Structural Information

Molecular Formula
C7H12O
SMILES
CC1(CC1C2CO2)C
InChI
InChI=1S/C7H12O/c1-7(2)3-5(7)6-4-8-6/h5-6H,3-4H2,1-2H3
InChIKey
VDSHXHQTNZCWQR-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylcyclopropyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

112.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 133.9
[M+Na]+ 135.07803 142.7
[M-H]- 111.08153 142.5
[M+NH4]+ 130.12263 145.8
[M+K]+ 151.05197 144.8
[M+H-H2O]+ 95.086070 129.1
[M+HCOO]- 157.08701 153.3
[M+CH3COO]- 171.10266 184.4
[M+Na-2H]- 133.06348 140.2
[M]+ 112.08826 139.3
[M]- 112.08936 139.3
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

No patent data available for this compound.