CID 13676038

Tert-butyl cyclopropanecarboxylate

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)(C)OC(=O)C1CC1
InChI
InChI=1S/C8H14O2/c1-8(2,3)10-7(9)6-4-5-6/h6H,4-5H2,1-3H3
InChIKey
FTEAAYMAQFBUJJ-UHFFFAOYSA-N
Compound name
tert-butyl cyclopropanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

793
Patents

142.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.1
[M+Na]+ 165.08860 140.1
[M-H]- 141.09210 136.1
[M+NH4]+ 160.13320 148.2
[M+K]+ 181.06254 139.2
[M+H-H2O]+ 125.09664 126.1
[M+HCOO]- 187.09758 152.9
[M+CH3COO]- 201.11323 178.1
[M+Na-2H]- 163.07405 137.3
[M]+ 142.09883 135.3
[M]- 142.09993 135.3
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