CID 21576016

Tert-butyl 4-amino-4-methylpentanoate

Structural Information

Molecular Formula
C10H21NO2
SMILES
CC(C)(C)OC(=O)CCC(C)(C)N
InChI
InChI=1S/C10H21NO2/c1-9(2,3)13-8(12)6-7-10(4,5)11/h6-7,11H2,1-5H3
InChIKey
MSYWFLPIRKVKGH-UHFFFAOYSA-N
Compound name
tert-butyl 4-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

187.15723 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.164506 145.7
[M+Na]+ 210.146448 151.6
[M-H]- 186.149954 145.5
[M+NH4]+ 205.191053 165.4
[M+K]+ 226.120388 151.6
[M+H-H2O]+ 170.154490 141.5
[M+HCOO]- 232.155431 165.3
[M+CH3COO]- 246.171081 186.7
[M+Na-2H]- 208.131896 150.2
[M]+ 187.15668142 147.1
[M]- 187.15777858 147.1
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