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

86
Patents

156.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 132.3
[M+Na]+ 179.104258 143.4
[M-H]- 155.107764 138.1
[M+NH4]+ 174.148863 153.0
[M+K]+ 195.078198 143.6
[M+H-H2O]+ 139.112300 129.8
[M+HCOO]- 201.113241 154.3
[M+CH3COO]- 215.128891 182.9
[M+Na-2H]- 177.089706 138.4
[M]+ 156.11449142 139.0
[M]- 156.11558858 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