CID 44225945

946511-97-3

Structural Information

Molecular Formula
C9H19NO2
SMILES
CCC(CC)COC(=O)[C@H](C)N
InChI
InChI=1S/C9H19NO2/c1-4-8(5-2)6-12-9(11)7(3)10/h7-8H,4-6,10H2,1-3H3/t7-/m0/s1
InChIKey
BBDQDTSBXDTVIF-ZETCQYMHSA-N
Compound name
2-ethylbutyl (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

419
Patents

173.14159 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.14887 143.5
[M+Na]+ 196.13081 148.3
[M-H]- 172.13431 143.0
[M+NH4]+ 191.17541 163.3
[M+K]+ 212.10475 148.6
[M+H-H2O]+ 156.13885 138.1
[M+HCOO]- 218.13979 164.4
[M+CH3COO]- 232.15544 185.3
[M+Na-2H]- 194.11626 144.2
[M]+ 173.14104 144.2
[M]- 173.14214 144.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe