CID 11890829

Rac-(1r,4r,6s)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropan]-2-ene-6-carboxylic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
C1CC12[C@H]3C[C@H]([C@@H]2C=C3)C(=O)O
InChI
InChI=1S/C10H12O2/c11-9(12)7-5-6-1-2-8(7)10(6)3-4-10/h1-2,6-8H,3-5H2,(H,11,12)/t6-,7-,8+/m1/s1
InChIKey
GUQRBBFSKQZSRM-PRJMDXOYSA-N
Compound name
(1S,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.090996 134.4
[M+Na]+ 187.072938 144.5
[M-H]- 163.076444 140.2
[M+NH4]+ 182.117543 156.4
[M+K]+ 203.046878 141.0
[M+H-H2O]+ 147.080980 131.0
[M+HCOO]- 209.081921 154.5
[M+CH3COO]- 223.097571 148.2
[M+Na-2H]- 185.058386 138.7
[M]+ 164.08317142 136.4
[M]- 164.08426858 136.4
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.