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

23
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 121.8
[M+Na]+ 139.07295 127.8
[M-H]- 115.07645 124.3
[M+NH4]+ 134.11755 139.2
[M+K]+ 155.04689 130.5
[M+H-H2O]+ 99.080990 113.6
[M+HCOO]- 161.08193 142.9
[M+CH3COO]- 175.09758 169.8
[M+Na-2H]- 137.05840 129.3
[M]+ 116.08318 130.1
[M]- 116.08428 130.1
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

patents stripe