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]+ 197.047616 139.0
[M+Na]+ 219.029558 152.6
[M-H]- 195.033064 143.9
[M+NH4]+ 214.074163 160.2
[M+K]+ 235.003498 148.8
[M+H-H2O]+ 179.037600 134.1
[M+HCOO]- 241.038541 159.4
[M+CH3COO]- 255.054191 154.3
[M+Na-2H]- 217.015006 145.5
[M]+ 196.03979142 144.3
[M]- 196.04088858 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.