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
cis-(1R,2S)-2-methylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

114.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 120.6
[M+Na]+ 137.057298 126.6
[M-H]- 113.060804 123.1
[M+NH4]+ 132.101903 136.2
[M+K]+ 153.031238 129.2
[M+H-H2O]+ 97.065340 111.3
[M+HCOO]- 159.066281 140.8
[M+CH3COO]- 173.081931 171.3
[M+Na-2H]- 135.042746 125.0
[M]+ 114.06753142 127.6
[M]- 114.06862858 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