CID 247469

1-(hydroxymethyl)cyclobutan-1-ol

Structural Information

Molecular Formula
C5H10O2
SMILES
C1CC(C1)(CO)O
InChI
InChI=1S/C5H10O2/c6-4-5(7)2-1-3-5/h6-7H,1-4H2
InChIKey
KTVGYAJQQQUOQX-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

412
Patents

102.06808 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 119.0
[M+Na]+ 125.057298 125.0
[M-H]- 101.060804 120.3
[M+NH4]+ 120.101903 136.2
[M+K]+ 141.031238 127.0
[M+H-H2O]+ 85.065340 111.1
[M+HCOO]- 147.066281 138.9
[M+CH3COO]- 161.081931 164.3
[M+Na-2H]- 123.042746 126.4
[M]+ 102.06753142 125.1
[M]- 102.06862858 125.1
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

patents stripe