CID 65597491

Methyl2-amino-4-cyclopropylbutanoatehydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
COC(=O)C(CCC1CC1)N
InChI
InChI=1S/C8H15NO2/c1-11-8(10)7(9)5-4-6-2-3-6/h6-7H,2-5,9H2,1H3
InChIKey
NBPAUAXMPPGSFX-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-cyclopropylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

157.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 134.3
[M+Na]+ 180.09950 141.8
[M-H]- 156.10300 138.3
[M+NH4]+ 175.14410 149.9
[M+K]+ 196.07344 140.1
[M+H-H2O]+ 140.10754 128.3
[M+HCOO]- 202.10848 157.0
[M+CH3COO]- 216.12413 183.2
[M+Na-2H]- 178.08495 137.8
[M]+ 157.10973 136.7
[M]- 157.11083 136.7
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.