CID 3016263

62138-41-4

Structural Information

Molecular Formula
C8H12O3
SMILES
CC1(C(C1C(=O)OC)C=O)C
InChI
InChI=1S/C8H12O3/c1-8(2)5(4-9)6(8)7(10)11-3/h4-6H,1-3H3
InChIKey
KVSRWNPBUMDYOQ-UHFFFAOYSA-N
Compound name
methyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

156.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 131.8
[M+Na]+ 179.067858 143.0
[M-H]- 155.071364 137.5
[M+NH4]+ 174.112463 150.5
[M+K]+ 195.041798 142.1
[M+H-H2O]+ 139.075900 128.0
[M+HCOO]- 201.076841 154.9
[M+CH3COO]- 215.092491 181.2
[M+Na-2H]- 177.053306 137.2
[M]+ 156.07809142 138.5
[M]- 156.07918858 138.5
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