CID 413337

Butyl 2-amino-4-methylpentanoate

Structural Information

Molecular Formula
C10H21NO2
SMILES
CCCCOC(=O)C(CC(C)C)N
InChI
InChI=1S/C10H21NO2/c1-4-5-6-13-10(12)9(11)7-8(2)3/h8-9H,4-7,11H2,1-3H3
InChIKey
HYPLQEHLQMSBKE-UHFFFAOYSA-N
Compound name
butyl 2-amino-4-methylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

187.15723 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.164506 148.2
[M+Na]+ 210.146448 152.6
[M-H]- 186.149954 147.4
[M+NH4]+ 205.191053 167.4
[M+K]+ 226.120388 152.6
[M+H-H2O]+ 170.154490 142.6
[M+HCOO]- 232.155431 168.8
[M+CH3COO]- 246.171081 188.4
[M+Na-2H]- 208.131896 148.4
[M]+ 187.15668142 149.3
[M]- 187.15777858 149.3
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