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
trans-(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]+ 159.101576 132.9
[M+Na]+ 181.083518 142.3
[M-H]- 157.087024 136.7
[M+NH4]+ 176.128123 148.9
[M+K]+ 197.057458 140.6
[M+H-H2O]+ 141.091560 128.3
[M+HCOO]- 203.092501 153.3
[M+CH3COO]- 217.108151 179.2
[M+Na-2H]- 179.068966 138.0
[M]+ 158.09375142 137.2
[M]- 158.09484858 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.