CID 22341011

2-(ethylamino)-3-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCNC(C(C)C)C(=O)O
InChI
InChI=1S/C7H15NO2/c1-4-8-6(5(2)3)7(9)10/h5-6,8H,4H2,1-3H3,(H,9,10)
InChIKey
QHRMEJWWMGUKAM-UHFFFAOYSA-N
Compound name
2-(ethylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

145.11028 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 134.2
[M+Na]+ 168.09950 139.3
[M-H]- 144.10300 133.0
[M+NH4]+ 163.14410 154.5
[M+K]+ 184.07344 139.6
[M+H-H2O]+ 128.10754 129.3
[M+HCOO]- 190.10848 154.8
[M+CH3COO]- 204.12413 178.0
[M+Na-2H]- 166.08495 136.5
[M]+ 145.10973 133.3
[M]- 145.11083 133.3
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