CID 12854631

Rac-(1r,2r)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H9NO4/c12-10(13)9-5-8(9)6-1-3-7(4-2-6)11(14)15/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m0/s1
InChIKey
BIHOAKPNPOGWEV-DTWKUNHWSA-N
Compound name
(1R,2R)-2-(4-nitrophenyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

207.05316 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 134.5
[M+Na]+ 230.04238 143.3
[M-H]- 206.04588 141.3
[M+NH4]+ 225.08698 147.3
[M+K]+ 246.01632 136.1
[M+H-H2O]+ 190.05042 133.1
[M+HCOO]- 252.05136 158.5
[M+CH3COO]- 266.06701 181.0
[M+Na-2H]- 228.02783 141.2
[M]+ 207.05261 135.2
[M]- 207.05371 135.2
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