CID 62369053

5-chloro-4,6-dimethyl-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C9H9ClN2O
SMILES
CC1=CC2=C(C(=C1Cl)C)N=C(O2)N
InChI
InChI=1S/C9H9ClN2O/c1-4-3-6-8(5(2)7(4)10)12-9(11)13-6/h3H,1-2H3,(H2,11,12)
InChIKey
QLEGPUJHPMJYGB-UHFFFAOYSA-N
Compound name
5-chloro-4,6-dimethyl-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.04034 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04762 139.0
[M+Na]+ 219.02956 152.6
[M-H]- 195.03306 143.9
[M+NH4]+ 214.07416 160.2
[M+K]+ 235.00350 148.8
[M+H-H2O]+ 179.03760 134.1
[M+HCOO]- 241.03854 159.4
[M+CH3COO]- 255.05419 154.3
[M+Na-2H]- 217.01501 145.5
[M]+ 196.03979 144.3
[M]- 196.04089 144.3
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.