CID 17883462

2-(dimethylamino)pentanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1184
Patents

145.11028 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 133.4
[M+Na]+ 168.09950 138.9
[M-H]- 144.10300 133.7
[M+NH4]+ 163.14410 154.4
[M+K]+ 184.07344 140.1
[M+H-H2O]+ 128.10754 128.3
[M+HCOO]- 190.10848 155.5
[M+CH3COO]- 204.12413 180.6
[M+Na-2H]- 166.08495 136.3
[M]+ 145.10973 134.4
[M]- 145.11083 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