CID 130146437

1822860-99-0

Structural Information

Molecular Formula
C9H18O2
SMILES
CC1(C(C(C1OC)(C)C)O)C
InChI
InChI=1S/C9H18O2/c1-8(2)6(10)9(3,4)7(8)11-5/h6-7,10H,1-5H3
InChIKey
IWGLREVJRBTNBB-UHFFFAOYSA-N
Compound name
3-methoxy-2,2,4,4-tetramethylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

158.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 133.2
[M+Na]+ 181.119898 141.5
[M-H]- 157.123404 136.8
[M+NH4]+ 176.164503 152.0
[M+K]+ 197.093838 143.7
[M+H-H2O]+ 141.127940 127.0
[M+HCOO]- 203.128881 153.3
[M+CH3COO]- 217.144531 181.8
[M+Na-2H]- 179.105346 138.6
[M]+ 158.13013142 144.2
[M]- 158.13122858 144.2
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