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
cis-(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]+ 103.075356 117.1
[M+Na]+ 125.057298 123.1
[M-H]- 101.060804 118.3
[M+NH4]+ 120.101903 132.6
[M+K]+ 141.031238 125.1
[M+H-H2O]+ 85.065340 108.1
[M+HCOO]- 147.066281 137.0
[M+CH3COO]- 161.081931 165.8
[M+Na-2H]- 123.042746 122.9
[M]+ 102.06753142 123.3
[M]- 102.06862858 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.