CID 137942359

2275326-03-7

Structural Information

Molecular Formula
C8H14O3
SMILES
COC1CC(C1)CCC(=O)O
InChI
InChI=1S/C8H14O3/c1-11-7-4-6(5-7)2-3-8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
QZYNKOPJXFKUNJ-UHFFFAOYSA-N
Compound name
3-(3-methoxycyclobutyl)propanoic 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]+ 159.10158 132.5
[M+Na]+ 181.08352 137.4
[M-H]- 157.08702 134.5
[M+NH4]+ 176.12812 146.2
[M+K]+ 197.05746 140.0
[M+H-H2O]+ 141.09156 122.4
[M+HCOO]- 203.09250 152.2
[M+CH3COO]- 217.10815 179.1
[M+Na-2H]- 179.06897 135.8
[M]+ 158.09375 141.6
[M]- 158.09485 141.6
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.