CID 83905246

Methyl 2-amino-3-cyclopropylbutanoate hydrochloride

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C1CC1)C(C(=O)OC)N
InChI
InChI=1S/C8H15NO2/c1-5(6-3-4-6)7(9)8(10)11-2/h5-7H,3-4,9H2,1-2H3
InChIKey
KQTZTJXASZOLED-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-cyclopropylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.11028 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 133.9
[M+Na]+ 180.099498 141.1
[M-H]- 156.103004 138.0
[M+NH4]+ 175.144103 149.4
[M+K]+ 196.073438 139.9
[M+H-H2O]+ 140.107540 128.0
[M+HCOO]- 202.108481 155.6
[M+CH3COO]- 216.124131 184.0
[M+Na-2H]- 178.084946 136.2
[M]+ 157.10973142 135.7
[M]- 157.11082858 135.7
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.