CID 122155902

1367877-92-6

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(C)(C)O[C@@H]1C[C@H]1C(=O)O
InChI
InChI=1S/C8H14O3/c1-8(2,3)11-6-4-5(6)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKey
DDPPJEZOTLIJIK-PHDIDXHHSA-N
Compound name
(1R,2R)-2-[(2-methylpropan-2-yl)oxy]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 132.9
[M+Na]+ 181.08352 142.3
[M-H]- 157.08702 136.7
[M+NH4]+ 176.12812 148.9
[M+K]+ 197.05746 140.6
[M+H-H2O]+ 141.09156 128.3
[M+HCOO]- 203.09250 153.3
[M+CH3COO]- 217.10815 179.2
[M+Na-2H]- 179.06897 138.0
[M]+ 158.09375 137.2
[M]- 158.09485 137.2
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

No patent data available for this compound.