CID 122154867

2-amino-4-cyclopropyl-4-methoxybutanoic acid

Structural Information

Molecular Formula
C8H15NO3
SMILES
COC(CC(C(=O)O)N)C1CC1
InChI
InChI=1S/C8H15NO3/c1-12-7(5-2-3-5)4-6(9)8(10)11/h5-7H,2-4,9H2,1H3,(H,10,11)
InChIKey
DEJURHSAAQWQTN-UHFFFAOYSA-N
Compound name
2-amino-4-cyclopropyl-4-methoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 136.0
[M+Na]+ 196.09442 142.7
[M-H]- 172.09792 138.6
[M+NH4]+ 191.13902 150.1
[M+K]+ 212.06836 140.9
[M+H-H2O]+ 156.10246 130.2
[M+HCOO]- 218.10340 156.5
[M+CH3COO]- 232.11905 184.2
[M+Na-2H]- 194.07987 137.9
[M]+ 173.10465 137.5
[M]- 173.10575 137.5
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.