CID 10398074

119404-79-4

Structural Information

Molecular Formula
C13H18O2
SMILES
C1C2CC3CC1CC(C2)C34CC4C(=O)O
InChI
InChI=1S/C13H18O2/c14-12(15)11-6-13(11)9-2-7-1-8(4-9)5-10(13)3-7/h7-11H,1-6H2,(H,14,15)
InChIKey
WVNJLPDZLBHERL-UHFFFAOYSA-N
Compound name
spiro[adamantane-2,2'-cyclopropane]-1'-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.13796 148.0
[M+Na]+ 229.11990 152.7
[M-H]- 205.12340 145.9
[M+NH4]+ 224.16450 168.0
[M+K]+ 245.09384 148.4
[M+H-H2O]+ 189.12794 141.7
[M+HCOO]- 251.12888 152.4
[M+CH3COO]- 265.14453 156.5
[M+Na-2H]- 227.10535 156.7
[M]+ 206.13013 149.6
[M]- 206.13123 149.6
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.