CID 19973209

1-(tert-butoxycarbonyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)(C)OC(=O)C1(CC1)C(=O)O
InChI
InChI=1S/C9H14O4/c1-8(2,3)13-7(12)9(4-5-9)6(10)11/h4-5H2,1-3H3,(H,10,11)
InChIKey
FSQXAHDYGFYONQ-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

186.0892 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 144.3
[M+Na]+ 209.07842 154.0
[M+NH4]+ 204.12302 152.2
[M+K]+ 225.05236 151.2
[M-H]- 185.08192 149.4
[M+Na-2H]- 207.06387 150.6
[M]+ 186.08865 148.1
[M]- 186.08975 148.1
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