CID 25063306

27279-62-5

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC(COC)OC(=O)C(=C)C#N
InChI
InChI=1S/C8H11NO3/c1-6(4-9)8(10)12-7(2)5-11-3/h7H,1,5H2,2-3H3
InChIKey
KTUXNTXUBTUMIL-UHFFFAOYSA-N
Compound name
1-methoxypropan-2-yl 2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

462
Patents

169.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 135.1
[M+Na]+ 192.063118 143.3
[M-H]- 168.066624 136.0
[M+NH4]+ 187.107723 153.5
[M+K]+ 208.037058 143.8
[M+H-H2O]+ 152.071160 123.8
[M+HCOO]- 214.072101 153.4
[M+CH3COO]- 228.087751 192.8
[M+Na-2H]- 190.048566 137.7
[M]+ 169.07335142 132.9
[M]- 169.07444858 132.9
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