CID 86746185

(2,2-dimethoxycyclobutyl)methanol

Structural Information

Molecular Formula
C7H14O3
SMILES
COC1(CCC1CO)OC
InChI
InChI=1S/C7H14O3/c1-9-7(10-2)4-3-6(7)5-8/h6,8H,3-5H2,1-2H3
InChIKey
HZXZEZWEJQIBOW-UHFFFAOYSA-N
Compound name
(2,2-dimethoxycyclobutyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

146.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 128.3
[M+Na]+ 169.08352 134.6
[M-H]- 145.08702 130.9
[M+NH4]+ 164.12812 144.7
[M+K]+ 185.05746 137.6
[M+H-H2O]+ 129.09156 120.0
[M+HCOO]- 191.09250 149.3
[M+CH3COO]- 205.10815 175.8
[M+Na-2H]- 167.06897 134.7
[M]+ 146.09375 138.8
[M]- 146.09485 138.8
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