CID 36849

3-methyl-2-(methylimino)benzoxazoline

Structural Information

Molecular Formula
C9H10N2O
SMILES
CN=C1N(C2=CC=CC=C2O1)C
InChI
InChI=1S/C9H10N2O/c1-10-9-11(2)7-5-3-4-6-8(7)12-9/h3-6H,1-2H3
InChIKey
KGLXZENKLRRZJM-UHFFFAOYSA-N
Compound name
N,3-dimethyl-1,3-benzoxazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.07932 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.08660 129.1
[M+Na]+ 185.06854 141.0
[M-H]- 161.07204 135.6
[M+NH4]+ 180.11314 151.4
[M+K]+ 201.04248 139.8
[M+H-H2O]+ 145.07658 123.0
[M+HCOO]- 207.07752 156.6
[M+CH3COO]- 221.09317 181.3
[M+Na-2H]- 183.05399 139.2
[M]+ 162.07877 133.8
[M]- 162.07987 133.8
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.