CID 14028997

3-methyl-3-oxetanecarboxylic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
CC1(COC1)C(=O)O
InChI
InChI=1S/C5H8O3/c1-5(4(6)7)2-8-3-5/h2-3H2,1H3,(H,6,7)
InChIKey
PMPZEEUNGQSAIQ-UHFFFAOYSA-N
Compound name
3-methyloxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1001
Patents

116.04734 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 118.3
[M+Na]+ 139.03656 124.5
[M-H]- 115.04006 121.6
[M+NH4]+ 134.08116 134.2
[M+K]+ 155.01050 128.9
[M+H-H2O]+ 99.044600 110.1
[M+HCOO]- 161.04554 138.2
[M+CH3COO]- 175.06119 168.7
[M+Na-2H]- 137.02201 126.2
[M]+ 116.04679 127.0
[M]- 116.04789 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe