CID 15413

Tert-butyl methyl ether

Structural Information

Molecular Formula
C5H12O
SMILES
CC(C)(C)OC
InChI
InChI=1S/C5H12O/c1-5(2,3)6-4/h1-4H3
InChIKey
BZLVMXJERCGZMT-UHFFFAOYSA-N
Compound name
2-methoxy-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

1501
References

65539
Patents

88.08881 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.096086 116.7
[M+Na]+ 111.07803 124.9
[M-H]- 87.081534 117.6
[M+NH4]+ 106.12263 141.0
[M+K]+ 127.05197 126.0
[M+H-H2O]+ 71.086070 113.4
[M+HCOO]- 133.08701 139.6
[M+CH3COO]- 147.10266 165.9
[M+Na-2H]- 109.06348 125.1
[M]+ 88.088261 118.6
[M]- 88.089359 118.6
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.