CID 165647806

2751610-93-0

Structural Information

Molecular Formula
C8H12O2
SMILES
C1C2CC1(C2)CCC(=O)O
InChI
InChI=1S/C8H12O2/c9-7(10)1-2-8-3-6(4-8)5-8/h6H,1-5H2,(H,9,10)
InChIKey
YMAOWXDXGCVBPU-UHFFFAOYSA-N
Compound name
3-(1-bicyclo[1.1.1]pentanyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 145.1
[M+Na]+ 163.07294 148.2
[M-H]- 139.07644 147.2
[M+NH4]+ 158.11754 150.4
[M+K]+ 179.04688 154.2
[M+H-H2O]+ 123.08098 131.7
[M+HCOO]- 185.08192 157.1
[M+CH3COO]- 199.09757 202.9
[M+Na-2H]- 161.05839 150.7
[M]+ 140.08317 169.3
[M]- 140.08427 169.3
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.