CID 120999965

1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1CC(C1)(COC)C(=O)O
InChI
InChI=1S/C8H14O3/c1-6-3-8(4-6,5-11-2)7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
RKSLVSDPVHZCNO-UHFFFAOYSA-N
Compound name
1-(methoxymethyl)-3-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 133.5
[M+Na]+ 181.083518 139.3
[M-H]- 157.087024 136.0
[M+NH4]+ 176.128123 149.3
[M+K]+ 197.057458 142.0
[M+H-H2O]+ 141.091560 125.1
[M+HCOO]- 203.092501 153.3
[M+CH3COO]- 217.108151 178.7
[M+Na-2H]- 179.068966 138.0
[M]+ 158.09375142 143.0
[M]- 158.09484858 143.0
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.