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
2
Annotation Hits

0
References

274
Patents

199.12085 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.4
[M+Na]+ 222.110068 150.8
[M-H]- 198.113574 145.5
[M+NH4]+ 217.154673 164.3
[M+K]+ 238.084008 150.9
[M+H-H2O]+ 182.118110 140.6
[M+HCOO]- 244.119051 165.7
[M+CH3COO]- 258.134701 189.5
[M+Na-2H]- 220.095516 147.8
[M]+ 199.12030142 147.1
[M]- 199.12139858 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