CID 61818155

Tert-butyl2-(methylamino)butanoatehydrochloride

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCC(C(=O)OC(C)(C)C)NC
InChI
InChI=1S/C9H19NO2/c1-6-7(10-5)8(11)12-9(2,3)4/h7,10H,6H2,1-5H3
InChIKey
WGYAGNZRMFICLQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(methylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

173.14159 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.8
[M+Na]+ 196.13081 147.3
[M-H]- 172.13431 142.1
[M+NH4]+ 191.17541 162.1
[M+K]+ 212.10475 148.0
[M+H-H2O]+ 156.13885 137.1
[M+HCOO]- 218.13979 162.8
[M+CH3COO]- 232.15544 184.7
[M+Na-2H]- 194.11626 145.7
[M]+ 173.14104 143.6
[M]- 173.14214 143.6
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

patents stripe