CID 55279001

2411179-97-8

Structural Information

Molecular Formula
C9H19NO2
SMILES
CC(C)[C@H](C(C)(C)C(=O)OC)N
InChI
InChI=1S/C9H19NO2/c1-6(2)7(10)9(3,4)8(11)12-5/h6-7H,10H2,1-5H3/t7-/m1/s1
InChIKey
GWEHCQAJGSVRGT-SSDOTTSWSA-N
Compound name
methyl (3R)-3-amino-2,2,4-trimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.14159 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 141.7
[M+Na]+ 196.13081 147.0
[M-H]- 172.13431 141.5
[M+NH4]+ 191.17541 161.7
[M+K]+ 212.10475 147.8
[M+H-H2O]+ 156.13885 137.2
[M+HCOO]- 218.13979 161.2
[M+CH3COO]- 232.15544 185.7
[M+Na-2H]- 194.11626 143.4
[M]+ 173.14104 142.0
[M]- 173.14214 142.0
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.