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

83
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 140.1
[M+Na]+ 209.07842 148.8
[M-H]- 185.08192 143.7
[M+NH4]+ 204.12302 156.4
[M+K]+ 225.05236 148.2
[M+H-H2O]+ 169.08646 136.6
[M+HCOO]- 231.08740 159.2
[M+CH3COO]- 245.10305 181.8
[M+Na-2H]- 207.06387 145.5
[M]+ 186.08865 144.9
[M]- 186.08975 144.9
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