CID 13214069

(1r,2s)-2-methylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C6H10O2
SMILES
C[C@H]1CC[C@H]1C(=O)O
InChI
InChI=1S/C6H10O2/c1-4-2-3-5(4)6(7)8/h4-5H,2-3H2,1H3,(H,7,8)/t4-,5+/m0/s1
InChIKey
ZQUWTFVQYAVBJZ-CRCLSJGQSA-N
Compound name
(1R,2S)-2-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

183
Patents

114.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 122.9
[M+Na]+ 137.05730 128.6
[M+NH4]+ 132.10190 127.0
[M+K]+ 153.03124 126.2
[M-H]- 113.06080 120.4
[M+Na-2H]- 135.04275 124.5
[M]+ 114.06753 121.5
[M]- 114.06863 121.5
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