CID 137964258

Ethyl 2-amino-4-(pyrazin-2-yl)butanoate hydrochloride

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CCOC(=O)C(CCC1=NC=CN=C1)N
InChI
InChI=1S/C10H15N3O2/c1-2-15-10(14)9(11)4-3-8-7-12-5-6-13-8/h5-7,9H,2-4,11H2,1H3
InChIKey
KTGGVQOPOKOFEL-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-pyrazin-2-ylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

209.11642 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 147.7
[M+Na]+ 232.10564 153.6
[M-H]- 208.10914 147.7
[M+NH4]+ 227.15024 163.0
[M+K]+ 248.07958 152.1
[M+H-H2O]+ 192.11368 139.4
[M+HCOO]- 254.11462 168.4
[M+CH3COO]- 268.13027 188.1
[M+Na-2H]- 230.09109 152.3
[M]+ 209.11587 148.0
[M]- 209.11697 148.0
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