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

172
Patents

102.06808 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 118.6
[M+Na]+ 125.05730 125.4
[M-H]- 101.06080 120.2
[M+NH4]+ 120.10190 136.1
[M+K]+ 141.03124 127.5
[M+H-H2O]+ 85.065340 111.0
[M+HCOO]- 147.06628 138.5
[M+CH3COO]- 161.08193 165.4
[M+Na-2H]- 123.04275 125.3
[M]+ 102.06753 125.1
[M]- 102.06863 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