CID 54758973

2-(3-methyloxetan-3-yl)acetic acid

Structural Information

Molecular Formula
C6H10O3
SMILES
CC1(COC1)CC(=O)O
InChI
InChI=1S/C6H10O3/c1-6(2-5(7)8)3-9-4-6/h2-4H2,1H3,(H,7,8)
InChIKey
CWBDORJPANBOOX-UHFFFAOYSA-N
Compound name
2-(3-methyloxetan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

130.06299 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07027 123.0
[M+Na]+ 153.05221 128.8
[M-H]- 129.05571 126.2
[M+NH4]+ 148.09681 138.4
[M+K]+ 169.02615 133.0
[M+H-H2O]+ 113.06025 114.7
[M+HCOO]- 175.06119 142.6
[M+CH3COO]- 189.07684 171.6
[M+Na-2H]- 151.03766 130.4
[M]+ 130.06244 132.1
[M]- 130.06354 132.1
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