CID 40893

2,3,4-trimethyloxetane

Structural Information

Molecular Formula
C6H12O
SMILES
CC1C(OC1C)C
InChI
InChI=1S/C6H12O/c1-4-5(2)7-6(4)3/h4-6H,1-3H3
InChIKey
HTCOCLGRYILICZ-UHFFFAOYSA-N
Compound name
2,3,4-trimethyloxetane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

100.08881 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.096086 113.9
[M+Na]+ 123.078028 121.5
[M-H]- 99.081534 118.9
[M+NH4]+ 118.122633 130.3
[M+K]+ 139.051968 125.7
[M+H-H2O]+ 83.086070 105.3
[M+HCOO]- 145.087011 135.6
[M+CH3COO]- 159.102661 173.0
[M+Na-2H]- 121.063476 121.1
[M]+ 100.08826142 123.8
[M]- 100.08935858 123.8
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