CID 21332

5260-37-7

Structural Information

Molecular Formula
C10H12NO
SMILES
CC[N+]1=C(OC2=CC=CC=C21)C
InChI
InChI=1S/C10H12NO/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7H,3H2,1-2H3/q+1
InChIKey
PAWXTPSQTMYBSB-UHFFFAOYSA-N
Compound name
3-ethyl-2-methyl-1,3-benzoxazol-3-ium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

443
Patents

162.09189 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09917 131.7
[M+Na]+ 185.08111 143.1
[M-H]- 161.08461 136.9
[M+NH4]+ 180.12571 153.3
[M+K]+ 201.05505 136.1
[M+H-H2O]+ 145.08915 128.8
[M+HCOO]- 207.09009 155.8
[M+CH3COO]- 221.10574 171.9
[M+Na-2H]- 183.06656 142.8
[M]+ 162.09134 135.1
[M]- 162.09244 135.1
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

patents stripe