CID 155822836

2222994-23-0

Structural Information

Molecular Formula
C8H8O2
SMILES
C1[C@H]([C@@H]1C2=CC=CO2)C=O
InChI
InChI=1S/C8H8O2/c9-5-6-4-7(6)8-2-1-3-10-8/h1-3,5-7H,4H2/t6-,7+/m0/s1
InChIKey
IVNQWQFFVFIOLT-NKWVEPMBSA-N
Compound name
(1R,2R)-2-(furan-2-yl)cyclopropane-1-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

136.05243 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.05971 123.3
[M+Na]+ 159.04165 134.3
[M-H]- 135.04515 132.1
[M+NH4]+ 154.08625 140.9
[M+K]+ 175.01559 133.2
[M+H-H2O]+ 119.04969 117.8
[M+HCOO]- 181.05063 148.7
[M+CH3COO]- 195.06628 174.9
[M+Na-2H]- 157.02710 130.7
[M]+ 136.05188 127.8
[M]- 136.05298 127.8
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.