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]+ 117.09101 123.2
[M+Na]+ 139.07295 129.6
[M-H]- 115.07645 124.7
[M+NH4]+ 134.11755 140.2
[M+K]+ 155.04689 131.5
[M+H-H2O]+ 99.080990 115.5
[M+HCOO]- 161.08193 142.8
[M+CH3COO]- 175.09758 168.3
[M+Na-2H]- 137.05840 129.4
[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

No patent data available for this compound.