CID 165661070

2-[(1r,4r)-4-aminocyclopent-2-en-1-yl]aceticacidhydrochloride

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]+ 142.08626 129.2
[M+Na]+ 164.06820 135.9
[M-H]- 140.07170 131.0
[M+NH4]+ 159.11280 151.2
[M+K]+ 180.04214 134.4
[M+H-H2O]+ 124.07624 124.1
[M+HCOO]- 186.07718 152.1
[M+CH3COO]- 200.09283 172.4
[M+Na-2H]- 162.05365 132.0
[M]+ 141.07843 125.8
[M]- 141.07953 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.