CID 43216361

Methyl 4-(ethylamino)butanoate hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCNCCCC(=O)OC
InChI
InChI=1S/C7H15NO2/c1-3-8-6-4-5-7(9)10-2/h8H,3-6H2,1-2H3
InChIKey
PEOHFFPBAXUCQI-UHFFFAOYSA-N
Compound name
methyl 4-(ethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

145.11028 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.8
[M+Na]+ 168.09950 138.8
[M-H]- 144.10300 132.9
[M+NH4]+ 163.14410 154.1
[M+K]+ 184.07344 139.1
[M+H-H2O]+ 128.10754 127.6
[M+HCOO]- 190.10848 157.0
[M+CH3COO]- 204.12413 178.2
[M+Na-2H]- 166.08495 138.3
[M]+ 145.10973 135.1
[M]- 145.11083 135.1
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