CID 21896007

(1-methoxycyclobutyl)methanol

Structural Information

Molecular Formula
C6H12O2
SMILES
COC1(CCC1)CO
InChI
InChI=1S/C6H12O2/c1-8-6(5-7)3-2-4-6/h7H,2-5H2,1H3
InChIKey
RWVZCYVSCXIVRP-UHFFFAOYSA-N
Compound name
(1-methoxycyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

116.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 122.7
[M+Na]+ 139.07295 128.5
[M+NH4]+ 134.11755 128.6
[M+K]+ 155.04689 123.7
[M-H]- 115.07645 120.7
[M+Na-2H]- 137.05840 126.6
[M]+ 116.08318 121.7
[M]- 116.08428 121.7
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