CID 9812772

[3-(hydroxymethyl)cyclobutyl]methanol

Structural Information

Molecular Formula
C6H12O2
SMILES
C1C(CC1CO)CO
InChI
InChI=1S/C6H12O2/c7-3-5-1-6(2-5)4-8/h5-8H,1-4H2
InChIKey
SQYNJZFYBCGAEI-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

229
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 127.3
[M-H]- 115.07645 122.8
[M+NH4]+ 134.11755 136.7
[M+K]+ 155.04689 129.2
[M+H-H2O]+ 99.080990 112.6
[M+HCOO]- 161.08193 141.4
[M+CH3COO]- 175.09758 168.8
[M+Na-2H]- 137.05840 127.0
[M]+ 116.08318 128.3
[M]- 116.08428 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe