CID 10442207

3-(1,3-benzoxazol-2-yl)propanal

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1=CC=C2C(=C1)N=C(O2)CCC=O
InChI
InChI=1S/C10H9NO2/c12-7-3-6-10-11-8-4-1-2-5-9(8)13-10/h1-2,4-5,7H,3,6H2
InChIKey
NIKSOAWAPOLTQP-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-yl)propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06332 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 132.6
[M+Na]+ 198.05254 143.4
[M-H]- 174.05604 137.1
[M+NH4]+ 193.09714 153.4
[M+K]+ 214.02648 141.7
[M+H-H2O]+ 158.06058 126.5
[M+HCOO]- 220.06152 157.5
[M+CH3COO]- 234.07717 178.4
[M+Na-2H]- 196.03799 142.1
[M]+ 175.06277 137.6
[M]- 175.06387 137.6
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.