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]+ 127.07536 140.8
[M+Na]+ 149.05730 138.0
[M+NH4]+ 144.10190 139.7
[M+K]+ 165.03124 137.5
[M-H]- 125.06080 133.3
[M+Na-2H]- 147.04275 136.0
[M]+ 126.06753 135.5
[M]- 126.06863 135.5
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

No patent data available for this compound.