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]+ 163.086596 129.1
[M+Na]+ 185.068538 141.0
[M-H]- 161.072044 135.6
[M+NH4]+ 180.113143 151.4
[M+K]+ 201.042478 139.8
[M+H-H2O]+ 145.076580 123.0
[M+HCOO]- 207.077521 156.6
[M+CH3COO]- 221.093171 181.3
[M+Na-2H]- 183.053986 139.2
[M]+ 162.07877142 133.8
[M]- 162.07986858 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.