CID 23158380

(3-methoxycyclobutyl)methanol

Structural Information

Molecular Formula
C6H12O2
SMILES
COC1CC(C1)CO
InChI
InChI=1S/C6H12O2/c1-8-6-2-5(3-6)4-7/h5-7H,2-4H2,1H3
InChIKey
XIICKNMLKKNTGN-UHFFFAOYSA-N
Compound name
(3-methoxycyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 120.0
[M+Na]+ 139.072948 126.0
[M-H]- 115.076454 122.4
[M+NH4]+ 134.117553 135.7
[M+K]+ 155.046888 128.8
[M+H-H2O]+ 99.080990 110.7
[M+HCOO]- 161.081931 141.1
[M+CH3COO]- 175.097581 171.3
[M+Na-2H]- 137.058396 125.9
[M]+ 116.08318142 128.4
[M]- 116.08427858 128.4
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