CID 145913501

N-[cyano(4-hydroxyphenyl)methyl]-n-cyclopropylacetamide

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CC(=O)N(C1CC1)C(C#N)C2=CC=C(C=C2)O
InChI
InChI=1S/C13H14N2O2/c1-9(16)15(11-4-5-11)13(8-14)10-2-6-12(17)7-3-10/h2-3,6-7,11,13,17H,4-5H2,1H3
InChIKey
LFOHKIROWSPTBD-UHFFFAOYSA-N
Compound name
N-[cyano-(4-hydroxyphenyl)methyl]-N-cyclopropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.112806 149.7
[M+Na]+ 253.094748 163.0
[M-H]- 229.098254 157.8
[M+NH4]+ 248.139353 162.7
[M+K]+ 269.068688 156.8
[M+H-H2O]+ 213.102790 139.2
[M+HCOO]- 275.103731 170.4
[M+CH3COO]- 289.119381 207.4
[M+Na-2H]- 251.080196 153.8
[M]+ 230.10498142 148.6
[M]- 230.10607858 148.6
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.