CID 106589

68109-74-0

Structural Information

Molecular Formula
C11H18N2O3
SMILES
CC(=NOC(=O)C)CC(C)(C)NC(=O)C=C
InChI
InChI=1S/C11H18N2O3/c1-6-10(15)12-11(4,5)7-8(2)13-16-9(3)14/h6H,1,7H2,2-5H3,(H,12,15)
InChIKey
CMQFEJDEGKLHGN-UHFFFAOYSA-N
Compound name
[[4-methyl-4-(prop-2-enoylamino)pentan-2-ylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.13174 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.139016 152.7
[M+Na]+ 249.120958 157.7
[M-H]- 225.124464 154.2
[M+NH4]+ 244.165563 171.0
[M+K]+ 265.094898 157.9
[M+H-H2O]+ 209.129000 147.1
[M+HCOO]- 271.129941 175.5
[M+CH3COO]- 285.145591 197.8
[M+Na-2H]- 247.106406 155.4
[M]+ 226.13119142 155.1
[M]- 226.13228858 155.1
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

No patent data available for this compound.