CID 68944676

2411494-73-8

Structural Information

Molecular Formula
C5H10O2
SMILES
CC1(CC(C1)O)O
InChI
InChI=1S/C5H10O2/c1-5(7)2-4(6)3-5/h4,6-7H,2-3H2,1H3
InChIKey
JBKPAMWOSAMZIV-UHFFFAOYSA-N
Compound name
1-methylcyclobutane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

102.06808 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 118.6
[M+Na]+ 125.057298 125.4
[M-H]- 101.060804 120.2
[M+NH4]+ 120.101903 136.1
[M+K]+ 141.031238 127.5
[M+H-H2O]+ 85.065340 111.0
[M+HCOO]- 147.066281 138.5
[M+CH3COO]- 161.081931 165.4
[M+Na-2H]- 123.042746 125.3
[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