CID 118997518

(3,3-dimethoxy-1-methylcyclobutyl)methanol

Structural Information

Molecular Formula
C8H16O3
SMILES
CC1(CC(C1)(OC)OC)CO
InChI
InChI=1S/C8H16O3/c1-7(6-9)4-8(5-7,10-2)11-3/h9H,4-6H2,1-3H3
InChIKey
NKZNXZJFORUJLZ-UHFFFAOYSA-N
Compound name
(3,3-dimethoxy-1-methylcyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

160.10994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 133.4
[M+Na]+ 183.09916 140.2
[M-H]- 159.10266 136.4
[M+NH4]+ 178.14376 151.3
[M+K]+ 199.07310 143.0
[M+H-H2O]+ 143.10720 126.4
[M+HCOO]- 205.10814 154.1
[M+CH3COO]- 219.12379 178.5
[M+Na-2H]- 181.08461 140.5
[M]+ 160.10939 144.7
[M]- 160.11049 144.7
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