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 141.9
[M+Na]+ 149.05730 145.9
[M-H]- 125.06080 144.3
[M+NH4]+ 144.10190 147.8
[M+K]+ 165.03124 152.0
[M+H-H2O]+ 109.06534 128.9
[M+HCOO]- 171.06628 154.0
[M+CH3COO]- 185.08193 201.6
[M+Na-2H]- 147.04275 147.4
[M]+ 126.06753 166.1
[M]- 126.06863 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.