CID 177788447

(1r,3s)-3-(hydroxymethyl)-3-methylcyclobutan-1-ol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC1(CC(C1)O)CO
InChI
InChI=1S/C6H12O2/c1-6(4-7)2-5(8)3-6/h5,7-8H,2-4H2,1H3
InChIKey
MDADILSXNVRKFH-UHFFFAOYSA-N
Compound name
3-(hydroxymethyl)-3-methylcyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.08373 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 123.2
[M+Na]+ 139.072948 129.6
[M-H]- 115.076454 124.7
[M+NH4]+ 134.117553 140.2
[M+K]+ 155.046888 131.5
[M+H-H2O]+ 99.080990 115.5
[M+HCOO]- 161.081931 142.8
[M+CH3COO]- 175.097581 168.3
[M+Na-2H]- 137.058396 129.4
[M]+ 116.08318142 130.1
[M]- 116.08427858 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

No patent data available for this compound.