CID 130862857

1936373-81-7

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1(CC(C1)(C(=O)O)OC)C
InChI
InChI=1S/C8H14O3/c1-7(2)4-8(5-7,11-3)6(9)10/h4-5H2,1-3H3,(H,9,10)
InChIKey
WGCUJMZPTOOYKQ-UHFFFAOYSA-N
Compound name
1-methoxy-3,3-dimethylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 133.9
[M+Na]+ 181.08352 140.6
[M-H]- 157.08702 136.9
[M+NH4]+ 176.12812 151.7
[M+K]+ 197.05746 143.4
[M+H-H2O]+ 141.09156 127.0
[M+HCOO]- 203.09250 153.6
[M+CH3COO]- 217.10815 178.5
[M+Na-2H]- 179.06897 139.5
[M]+ 158.09375 143.8
[M]- 158.09485 143.8
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.