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]+ 171.10158 138.5
[M+Na]+ 193.08352 145.8
[M-H]- 169.08702 140.1
[M+NH4]+ 188.12812 165.3
[M+K]+ 209.05746 144.3
[M+H-H2O]+ 153.09156 135.5
[M+HCOO]- 215.09250 158.0
[M+CH3COO]- 229.10815 175.7
[M+Na-2H]- 191.06897 142.0
[M]+ 170.09375 138.1
[M]- 170.09485 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.