CID 23564095

2-(1-ethoxycyclobutyl)acetic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CCOC1(CCC1)CC(=O)O
InChI
InChI=1S/C8H14O3/c1-2-11-8(4-3-5-8)6-7(9)10/h2-6H2,1H3,(H,9,10)
InChIKey
KAMJKRLLISVPKQ-UHFFFAOYSA-N
Compound name
2-(1-ethoxycyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 134.2
[M+Na]+ 181.08352 139.2
[M-H]- 157.08702 136.3
[M+NH4]+ 176.12812 149.7
[M+K]+ 197.05746 141.8
[M+H-H2O]+ 141.09156 125.4
[M+HCOO]- 203.09250 154.0
[M+CH3COO]- 217.10815 177.6
[M+Na-2H]- 179.06897 139.3
[M]+ 158.09375 143.3
[M]- 158.09485 143.3
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