CID 55301601

181134-66-7

Structural Information

Molecular Formula
C8H10O2
SMILES
C1CC12C(C23CC3)C(=O)O
InChI
InChI=1S/C8H10O2/c9-6(10)5-7(1-2-7)8(5)3-4-8/h5H,1-4H2,(H,9,10)
InChIKey
ARGZJFVHDICEJO-UHFFFAOYSA-N
Compound name
dispiro[2.0.24.13]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

138.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.07536 160.8
[M+Na]+ 161.05730 165.2
[M-H]- 137.06080 166.6
[M+NH4]+ 156.10190 166.4
[M+K]+ 177.03124 168.1
[M+H-H2O]+ 121.06534 158.6
[M+HCOO]- 183.06628 172.5
[M+CH3COO]- 197.08193 199.7
[M+Na-2H]- 159.04275 161.9
[M]+ 138.06753 164.4
[M]- 138.06863 164.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe