CID 14573053

104835-82-7

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1=CC(=CC(=C1O)C)CNC(=O)C(=C)C
InChI
InChI=1S/C13H17NO2/c1-8(2)13(16)14-7-11-5-9(3)12(15)10(4)6-11/h5-6,15H,1,7H2,2-4H3,(H,14,16)
InChIKey
YKOPNUQPGUPYFM-UHFFFAOYSA-N
Compound name
N-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

219.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.0
[M+Na]+ 242.11515 157.3
[M-H]- 218.11865 152.8
[M+NH4]+ 237.15975 168.1
[M+K]+ 258.08909 154.4
[M+H-H2O]+ 202.12319 144.3
[M+HCOO]- 264.12413 171.6
[M+CH3COO]- 278.13978 192.7
[M+Na-2H]- 240.10060 151.3
[M]+ 219.12538 150.0
[M]- 219.12648 150.0
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