CID 3019756

4-(diethylamino)-2-methylbut-2-enoic acid

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCN(CC)CC=C(C)C(=O)O
InChI
InChI=1S/C9H17NO2/c1-4-10(5-2)7-6-8(3)9(11)12/h6H,4-5,7H2,1-3H3,(H,11,12)
InChIKey
RKCYYKCHYZJRKP-UHFFFAOYSA-N
Compound name
4-(diethylamino)-2-methylbut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

252
Patents

171.12593 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 141.3
[M+Na]+ 194.115148 146.4
[M-H]- 170.118654 141.3
[M+NH4]+ 189.159753 161.3
[M+K]+ 210.089088 146.5
[M+H-H2O]+ 154.123190 136.0
[M+HCOO]- 216.124131 163.0
[M+CH3COO]- 230.139781 185.1
[M+Na-2H]- 192.100596 143.2
[M]+ 171.12538142 142.3
[M]- 171.12647858 142.3
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