CID 10012148

27315-98-6

Structural Information

Molecular Formula
C8H15NO2
SMILES
CCN(CC)CC(=C)C(=O)O
InChI
InChI=1S/C8H15NO2/c1-4-9(5-2)6-7(3)8(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKey
QVORBTXUFAMNBR-UHFFFAOYSA-N
Compound name
2-(diethylaminomethyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

157.11028 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.4
[M+Na]+ 180.099498 141.8
[M-H]- 156.103004 136.5
[M+NH4]+ 175.144103 156.9
[M+K]+ 196.073438 142.1
[M+H-H2O]+ 140.107540 131.3
[M+HCOO]- 202.108481 158.5
[M+CH3COO]- 216.124131 182.7
[M+Na-2H]- 178.084946 138.8
[M]+ 157.10973142 137.1
[M]- 157.11082858 137.1
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