CID 210997

Methyl 4-(dimethylamino)butanoate

Structural Information

Molecular Formula
C7H15NO2
SMILES
CN(C)CCCC(=O)OC
InChI
InChI=1S/C7H15NO2/c1-8(2)6-4-5-7(9)10-3/h4-6H2,1-3H3
InChIKey
ZJEZSISCHHJCIO-UHFFFAOYSA-N
Compound name
methyl 4-(dimethylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

145.11028 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.11756 132.5
[M+Na]+ 168.09950 138.8
[M-H]- 144.10300 134.2
[M+NH4]+ 163.14410 154.5
[M+K]+ 184.07344 140.5
[M+H-H2O]+ 128.10754 127.2
[M+HCOO]- 190.10848 157.2
[M+CH3COO]- 204.12413 181.8
[M+Na-2H]- 166.08495 137.3
[M]+ 145.10973 136.1
[M]- 145.11083 136.1
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