CID 137943792

2-(tert-butoxy)-1,1-dimethoxycyclopropane

Structural Information

Molecular Formula
C9H18O3
SMILES
CC(C)(C)OC1CC1(OC)OC
InChI
InChI=1S/C9H18O3/c1-8(2,3)12-7-6-9(7,10-4)11-5/h7H,6H2,1-5H3
InChIKey
VBDXAGVDTPMYNT-UHFFFAOYSA-N
Compound name
1,1-dimethoxy-2-[(2-methylpropan-2-yl)oxy]cyclopropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.1256 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.13288 140.0
[M+Na]+ 197.11482 149.9
[M-H]- 173.11832 145.2
[M+NH4]+ 192.15942 158.0
[M+K]+ 213.08876 150.1
[M+H-H2O]+ 157.12286 136.1
[M+HCOO]- 219.12380 161.9
[M+CH3COO]- 233.13945 184.3
[M+Na-2H]- 195.10027 147.3
[M]+ 174.12505 148.1
[M]- 174.12615 148.1
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

No patent data available for this compound.