CID 75356329

Ethyl 3-amino-3,4-dimethylpentanoate

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCOC(=O)CC(C)(C(C)C)N
InChI
InChI=1S/C9H19NO2/c1-5-12-8(11)6-9(4,10)7(2)3/h7H,5-6,10H2,1-4H3
InChIKey
XTWFQHYGHRSJSA-UHFFFAOYSA-N
Compound name
ethyl 3-amino-3,4-dimethylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

173.14159 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 142.1
[M+Na]+ 196.13081 147.6
[M-H]- 172.13431 141.8
[M+NH4]+ 191.17541 162.1
[M+K]+ 212.10475 147.9
[M+H-H2O]+ 156.13885 137.4
[M+HCOO]- 218.13979 162.5
[M+CH3COO]- 232.15544 184.7
[M+Na-2H]- 194.11626 144.9
[M]+ 173.14104 143.0
[M]- 173.14214 143.0
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

patents stripe