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]+ 227.13902 152.7
[M+Na]+ 249.12096 157.7
[M-H]- 225.12446 154.2
[M+NH4]+ 244.16556 171.0
[M+K]+ 265.09490 157.9
[M+H-H2O]+ 209.12900 147.1
[M+HCOO]- 271.12994 175.5
[M+CH3COO]- 285.14559 197.8
[M+Na-2H]- 247.10641 155.4
[M]+ 226.13119 155.1
[M]- 226.13229 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.