CID 165957542

En300-1456043

Structural Information

Molecular Formula
C12H14FNO2
SMILES
CC(C)(C)OC(=O)/C=C/C1=C(C=CC=N1)F
InChI
InChI=1S/C12H14FNO2/c1-12(2,3)16-11(15)7-6-10-9(13)5-4-8-14-10/h4-8H,1-3H3/b7-6+
InChIKey
CQOMVORBYFQNBN-VOTSOKGWSA-N
Compound name
tert-butyl (E)-3-(3-fluoropyridin-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.10086 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.10814 148.9
[M+Na]+ 246.09008 157.0
[M-H]- 222.09358 150.0
[M+NH4]+ 241.13468 166.2
[M+K]+ 262.06402 154.6
[M+H-H2O]+ 206.09812 141.7
[M+HCOO]- 268.09906 168.5
[M+CH3COO]- 282.11471 188.2
[M+Na-2H]- 244.07553 153.8
[M]+ 223.10031 149.8
[M]- 223.10141 149.8
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.