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]+ 165.090996 125.2
[M+Na]+ 187.072938 131.2
[M-H]- 163.076444 128.5
[M+NH4]+ 182.117543 133.1
[M+K]+ 203.046878 134.8
[M+H-H2O]+ 147.080980 108.8
[M+HCOO]- 209.081921 137.5
[M+CH3COO]- 223.097571 194.4
[M+Na-2H]- 185.058386 129.6
[M]+ 164.08317142 133.0
[M]- 164.08426858 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.