CID 170898344

1-methylbicyclo[1.1.1]pentane-2-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
CC12CC(C1)C2C(=O)O
InChI
InChI=1S/C7H10O2/c1-7-2-4(3-7)5(7)6(8)9/h4-5H,2-3H2,1H3,(H,8,9)
InChIKey
YHQAHYMMYNOBNJ-UHFFFAOYSA-N
Compound name
1-methylbicyclo[1.1.1]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 141.9
[M+Na]+ 149.057298 145.9
[M-H]- 125.060804 144.3
[M+NH4]+ 144.101903 147.8
[M+K]+ 165.031238 152.0
[M+H-H2O]+ 109.065340 128.9
[M+HCOO]- 171.066281 154.0
[M+CH3COO]- 185.081931 201.6
[M+Na-2H]- 147.042746 147.4
[M]+ 126.06753142 166.1
[M]- 126.06862858 166.1
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

No patent data available for this compound.