CID 6378

Propylene oxide

Structural Information

Molecular Formula
C3H6O
SMILES
CC1CO1
InChI
InChI=1S/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
InChIKey
GOOHAUXETOMSMM-UHFFFAOYSA-N
Compound name
2-methyloxirane
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

1235
References

143494
Patents

58.041866 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.049142 107.2
[M+Na]+ 81.031084 117.7
[M-H]- 57.034590 113.3
[M+NH4]+ 76.075689 126.2
[M+K]+ 97.005024 118.9
[M+H-H2O]+ 41.039126 102.0
[M+HCOO]- 103.04007 131.6
[M+CH3COO]- 117.05572 162.7
[M+Na-2H]- 79.016532 117.7
[M]+ 58.041317 110.6
[M]- 58.042415 110.6
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.