CID 165766575

Rac-(1r,2s,4r)-2-methoxybicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
CO[C@@H]1C[C@H]2CC[C@@]1(C2)C(=O)O
InChI
InChI=1S/C9H14O3/c1-12-7-4-6-2-3-9(7,5-6)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7-,9+/m1/s1
InChIKey
MIFYOMIMRKSYEU-BHNWBGBOSA-N
Compound name
(1S,2R,4S)-2-methoxybicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.101576 138.5
[M+Na]+ 193.083518 145.8
[M-H]- 169.087024 140.1
[M+NH4]+ 188.128123 165.3
[M+K]+ 209.057458 144.3
[M+H-H2O]+ 153.091560 135.5
[M+HCOO]- 215.092501 158.0
[M+CH3COO]- 229.108151 175.7
[M+Na-2H]- 191.068966 142.0
[M]+ 170.09375142 138.1
[M]- 170.09484858 138.1
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.