CID 538202

Methyl 2,2,3,3-tetramethylcyclopropanecarboxylate

Structural Information

Molecular Formula
C9H16O2
SMILES
CC1(C(C1(C)C)C(=O)OC)C
InChI
InChI=1S/C9H16O2/c1-8(2)6(7(10)11-5)9(8,3)4/h6H,1-5H3
InChIKey
VSINZTMZSOWVNA-UHFFFAOYSA-N
Compound name
methyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

156.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 132.3
[M+Na]+ 179.10426 143.4
[M-H]- 155.10776 138.1
[M+NH4]+ 174.14886 153.0
[M+K]+ 195.07820 143.6
[M+H-H2O]+ 139.11230 129.8
[M+HCOO]- 201.11324 154.3
[M+CH3COO]- 215.12889 182.9
[M+Na-2H]- 177.08971 138.4
[M]+ 156.11449 139.0
[M]- 156.11559 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe