CID 14775455

120225-74-3

Structural Information

Molecular Formula
C15H17NO2
SMILES
CC(C)(C)OC(=O)/C=C/C1=CC=C(C=C1)CC#N
InChI
InChI=1S/C15H17NO2/c1-15(2,3)18-14(17)9-8-12-4-6-13(7-5-12)10-11-16/h4-9H,10H2,1-3H3/b9-8+
InChIKey
UHGFRQZECZHVKY-CMDGGOBGSA-N
Compound name
tert-butyl (E)-3-[4-(cyanomethyl)phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 157.8
[M+Na]+ 266.11515 168.6
[M+NH4]+ 261.15975 161.2
[M+K]+ 282.08909 159.5
[M-H]- 242.11865 151.2
[M+Na-2H]- 264.10060 160.4
[M]+ 243.12538 156.6
[M]- 243.12648 156.6
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.