CID 22259891

3-[methyl(propyl)amino]propanoic acid hydrochloride

Structural Information

Molecular Formula
C7H15NO2
SMILES
CCCN(C)CCC(=O)O
InChI
InChI=1S/C7H15NO2/c1-3-5-8(2)6-4-7(9)10/h3-6H2,1-2H3,(H,9,10)
InChIKey
QHJWKOZWMBUASB-UHFFFAOYSA-N
Compound name
3-[methyl(propyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

145.11028 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.117556 133.1
[M+Na]+ 168.099498 138.8
[M-H]- 144.103004 133.3
[M+NH4]+ 163.144103 154.2
[M+K]+ 184.073438 139.6
[M+H-H2O]+ 128.107540 128.0
[M+HCOO]- 190.108481 156.3
[M+CH3COO]- 204.124131 179.7
[M+Na-2H]- 166.084946 137.3
[M]+ 145.10973142 134.8
[M]- 145.11082858 134.8
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