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]+ 159.101576 134.2
[M+Na]+ 181.083518 139.2
[M-H]- 157.087024 136.3
[M+NH4]+ 176.128123 149.7
[M+K]+ 197.057458 141.8
[M+H-H2O]+ 141.091560 125.4
[M+HCOO]- 203.092501 154.0
[M+CH3COO]- 217.108151 177.6
[M+Na-2H]- 179.068966 139.3
[M]+ 158.09375142 143.3
[M]- 158.09484858 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