CID 223581

2-[(dimethylamino)methyl]prop-2-enoic acid

Structural Information

Molecular Formula
C6H11NO2
SMILES
CN(C)CC(=C)C(=O)O
InChI
InChI=1S/C6H11NO2/c1-5(6(8)9)4-7(2)3/h1,4H2,2-3H3,(H,8,9)
InChIKey
GANOKKCPYBWVRC-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1703
Patents

129.07898 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 127.0
[M+Na]+ 152.06820 133.2
[M-H]- 128.07170 127.5
[M+NH4]+ 147.11280 148.6
[M+K]+ 168.04214 134.1
[M+H-H2O]+ 112.07624 122.3
[M+HCOO]- 174.07718 149.7
[M+CH3COO]- 188.09283 176.7
[M+Na-2H]- 150.05365 130.5
[M]+ 129.07843 127.0
[M]- 129.07953 127.0
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