CID 55268647

4-(dimethylamino)-3-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CC(CC(=O)O)CN(C)C
InChI
InChI=1S/C7H15NO2/c1-6(4-7(9)10)5-8(2)3/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
QBJFAOYOWNNRMP-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

145.11028 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 133.4
[M+Na]+ 168.099498 138.9
[M-H]- 144.103004 133.7
[M+NH4]+ 163.144103 154.4
[M+K]+ 184.073438 140.1
[M+H-H2O]+ 128.107540 128.3
[M+HCOO]- 190.108481 155.5
[M+CH3COO]- 204.124131 180.6
[M+Na-2H]- 166.084946 136.3
[M]+ 145.10973142 134.4
[M]- 145.11082858 134.4
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