CID 5369115

Methyl (2e)-3-(dimethylamino)prop-2-enoate

Structural Information

Molecular Formula
C6H11NO2
SMILES
CN(C)/C=C/C(=O)OC
InChI
InChI=1S/C6H11NO2/c1-7(2)5-4-6(8)9-3/h4-5H,1-3H3/b5-4+
InChIKey
MVPDNJQLPITPIX-SNAWJCMRSA-N
Compound name
methyl (E)-3-(dimethylamino)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

129.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.3
[M+Na]+ 152.06820 133.4
[M-H]- 128.07170 128.3
[M+NH4]+ 147.11280 148.9
[M+K]+ 168.04214 134.7
[M+H-H2O]+ 112.07624 121.4
[M+HCOO]- 174.07718 151.6
[M+CH3COO]- 188.09283 177.1
[M+Na-2H]- 150.05365 131.7
[M]+ 129.07843 128.8
[M]- 129.07953 128.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe