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]+ 231.11281 149.7
[M+Na]+ 253.09475 163.0
[M-H]- 229.09825 157.8
[M+NH4]+ 248.13935 162.7
[M+K]+ 269.06869 156.8
[M+H-H2O]+ 213.10279 139.2
[M+HCOO]- 275.10373 170.4
[M+CH3COO]- 289.11938 207.4
[M+Na-2H]- 251.08020 153.8
[M]+ 230.10498 148.6
[M]- 230.10608 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.