CID 165661070

2792161-58-9

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1[C@@H](C=C[C@@H]1N)CC(=O)O
InChI
InChI=1S/C7H11NO2/c8-6-2-1-5(3-6)4-7(9)10/h1-2,5-6H,3-4,8H2,(H,9,10)/t5-,6+/m1/s1
InChIKey
FGULSOCFFUOSNW-RITPCOANSA-N
Compound name
2-[(1R,4R)-4-aminocyclopent-2-en-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.07898 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.086256 129.2
[M+Na]+ 164.068198 135.9
[M-H]- 140.071704 131.0
[M+NH4]+ 159.112803 151.2
[M+K]+ 180.042138 134.4
[M+H-H2O]+ 124.076240 124.1
[M+HCOO]- 186.077181 152.1
[M+CH3COO]- 200.092831 172.4
[M+Na-2H]- 162.053646 132.0
[M]+ 141.07843142 125.8
[M]- 141.07952858 125.8
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.