CID 78832

N-(butoxymethyl)methacrylamide

Structural Information

Molecular Formula
C9H17NO2
SMILES
CCCCOCNC(=O)C(=C)C
InChI
InChI=1S/C9H17NO2/c1-4-5-6-12-7-10-9(11)8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKey
ADGJZVKOKVENDN-UHFFFAOYSA-N
Compound name
N-(butoxymethyl)-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8118
Patents

171.12593 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.13321 141.0
[M+Na]+ 194.11515 146.3
[M-H]- 170.11865 140.9
[M+NH4]+ 189.15975 161.1
[M+K]+ 210.08909 145.9
[M+H-H2O]+ 154.12319 135.6
[M+HCOO]- 216.12413 163.8
[M+CH3COO]- 230.13978 184.2
[M+Na-2H]- 192.10060 144.2
[M]+ 171.12538 142.7
[M]- 171.12648 142.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe