CID 715971

(e)-2-(3-nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride

Structural Information

Molecular Formula
C13H14N2O3
SMILES
CC1(COC(=N1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C
InChI
InChI=1S/C13H14N2O3/c1-13(2)9-18-12(14-13)7-6-10-4-3-5-11(8-10)15(16)17/h3-8H,9H2,1-2H3/b7-6+
InChIKey
KZXOMDOFIZQGCR-VOTSOKGWSA-N
Compound name
4,4-dimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

246.10045 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 154.3
[M+Na]+ 269.08967 161.9
[M-H]- 245.09317 160.8
[M+NH4]+ 264.13427 172.0
[M+K]+ 285.06361 156.0
[M+H-H2O]+ 229.09771 152.1
[M+HCOO]- 291.09865 177.7
[M+CH3COO]- 305.11430 185.6
[M+Na-2H]- 267.07512 161.6
[M]+ 246.09990 154.0
[M]- 246.10100 154.0
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.