CID 338526

Nsc361588

Structural Information

Molecular Formula
C10H14O3
SMILES
CC1=C2CCCCCC2(OC1=O)O
InChI
InChI=1S/C10H14O3/c1-7-8-5-3-2-4-6-10(8,12)13-9(7)11/h12H,2-6H2,1H3
InChIKey
QYOOFFBBMGGQGM-UHFFFAOYSA-N
Compound name
8a-hydroxy-3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 134.2
[M+Na]+ 205.08352 140.2
[M-H]- 181.08702 139.1
[M+NH4]+ 200.12812 155.5
[M+K]+ 221.05746 142.0
[M+H-H2O]+ 165.09156 130.8
[M+HCOO]- 227.09250 152.3
[M+CH3COO]- 241.10815 179.3
[M+Na-2H]- 203.06897 139.6
[M]+ 182.09375 129.9
[M]- 182.09485 129.9
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.