CID 68652458

(2-oxabicyclo[4.1.0]heptan-7-yl)methanol

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC2C(C2OC1)CO
InChI
InChI=1S/C7H12O2/c8-4-6-5-2-1-3-9-7(5)6/h5-8H,1-4H2
InChIKey
HPEMQBFOENIWMH-UHFFFAOYSA-N
Compound name
2-oxabicyclo[4.1.0]heptan-7-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

128.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 125.1
[M+Na]+ 151.07294 134.0
[M-H]- 127.07644 129.8
[M+NH4]+ 146.11754 141.7
[M+K]+ 167.04688 133.0
[M+H-H2O]+ 111.08098 119.7
[M+HCOO]- 173.08192 143.9
[M+CH3COO]- 187.09757 172.7
[M+Na-2H]- 149.05839 133.3
[M]+ 128.08317 126.1
[M]- 128.08427 126.1
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