CID 90716102

Tdbzcholine

Structural Information

Molecular Formula
C14H17F3N3O2
SMILES
C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)C2(N=N2)C(F)(F)F
InChI
InChI=1S/C14H17F3N3O2/c1-20(2,3)8-9-22-12(21)10-4-6-11(7-5-10)13(18-19-13)14(15,16)17/h4-7H,8-9H2,1-3H3/q+1
InChIKey
IQGNIBHYFCIEEE-UHFFFAOYSA-N
Compound name
trimethyl-[2-[4-[3-(trifluoromethyl)diazirin-3-yl]benzoyl]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1273 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13458 168.4
[M+Na]+ 339.11652 178.6
[M+NH4]+ 334.16112 174.6
[M+K]+ 355.09046 175.4
[M-H]- 315.12002 172.8
[M+Na-2H]- 337.10197 177.1
[M]+ 316.12675 172.2
[M]- 316.12785 172.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.