CID 274334

1187-27-5

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

CN(C)C=C(C#N)C(=O)OC

InChI

InChI=1S/C7H10N2O2/c1-9(2)5-6(4-8)7(10)11-3/h5H,1-3H3

InChIKey

HWBIEDPFULRCDP-UHFFFAOYSA-N

Compound name

methyl 2-cyano-3-(dimethylamino)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 154.07423 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.081506	133.2
[M+Na]+	177.063448	141.2
[M-H]-	153.066954	135.2
[M+NH4]+	172.108053	152.4
[M+K]+	193.037388	142.4
[M+H-H2O]+	137.071490	121.3
[M+HCOO]-	199.072431	153.5
[M+CH3COO]-	213.088081	194.5
[M+Na-2H]-	175.048896	136.6
[M]+	154.07368142	130.1
[M]-	154.07477858	130.1

Literature stripe

literature stripe

Patent stripe

patents stripe