CID 170904382

2107568-98-7

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CC2(C1)CC(C2)C#CC(=O)O
InChI
InChI=1S/C10H12O2/c11-9(12)3-2-8-6-10(7-8)4-1-5-10/h8H,1,4-7H2,(H,11,12)
InChIKey
ABJANPIUVOGBIZ-UHFFFAOYSA-N
Compound name
3-spiro[3.3]heptan-2-ylprop-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 125.2
[M+Na]+ 187.07294 131.2
[M-H]- 163.07644 128.5
[M+NH4]+ 182.11754 133.1
[M+K]+ 203.04688 134.8
[M+H-H2O]+ 147.08098 108.8
[M+HCOO]- 209.08192 137.5
[M+CH3COO]- 223.09757 194.4
[M+Na-2H]- 185.05839 129.6
[M]+ 164.08317 133.0
[M]- 164.08427 133.0
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.