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

192
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 120.6
[M+Na]+ 137.05730 126.6
[M-H]- 113.06080 123.1
[M+NH4]+ 132.10190 136.2
[M+K]+ 153.03124 129.2
[M+H-H2O]+ 97.065340 111.3
[M+HCOO]- 159.06628 140.8
[M+CH3COO]- 173.08193 171.3
[M+Na-2H]- 135.04275 125.0
[M]+ 114.06753 127.6
[M]- 114.06863 127.6
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

patents stripe