CID 135396276

Trans-2-(hydroxymethyl)cyclobutanol

Structural Information

Molecular Formula
C5H10O2
SMILES
C1C[C@H]([C@@H]1CO)O
InChI
InChI=1S/C5H10O2/c6-3-4-1-2-5(4)7/h4-7H,1-3H2/t4-,5+/m0/s1
InChIKey
VSYWGNKHUGJYOX-CRCLSJGQSA-N
Compound name
(1R,2S)-2-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

102.06808 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 117.1
[M+Na]+ 125.05730 123.1
[M-H]- 101.06080 118.3
[M+NH4]+ 120.10190 132.6
[M+K]+ 141.03124 125.1
[M+H-H2O]+ 85.065340 108.1
[M+HCOO]- 147.06628 137.0
[M+CH3COO]- 161.08193 165.8
[M+Na-2H]- 123.04275 122.9
[M]+ 102.06753 123.3
[M]- 102.06863 123.3
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.