CID 170682

42772-51-0

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(=O)CC(C)(C)N(CO)C(=O)C=C
InChI
InChI=1S/C10H17NO3/c1-5-9(14)11(7-12)10(3,4)6-8(2)13/h5,12H,1,6-7H2,2-4H3
InChIKey
WNUPGDZWJCHVAF-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)-N-(2-methyl-4-oxopentan-2-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

181
Patents

199.12085 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 145.4
[M+Na]+ 222.11007 150.8
[M-H]- 198.11357 145.5
[M+NH4]+ 217.15467 164.3
[M+K]+ 238.08401 150.9
[M+H-H2O]+ 182.11811 140.6
[M+HCOO]- 244.11905 165.7
[M+CH3COO]- 258.13470 189.5
[M+Na-2H]- 220.09552 147.8
[M]+ 199.12030 147.1
[M]- 199.12140 147.1
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

patents stripe