CID 39203405

2-n,2-n-dimethyl-1,3-benzoxazole-2,5-diamine

Structural Information

Molecular Formula
C9H11N3O
SMILES
CN(C)C1=NC2=C(O1)C=CC(=C2)N
InChI
InChI=1S/C9H11N3O/c1-12(2)9-11-7-5-6(10)3-4-8(7)13-9/h3-5H,10H2,1-2H3
InChIKey
DHRXSWCLVPXPSL-UHFFFAOYSA-N
Compound name
2-N,2-N-dimethyl-1,3-benzoxazole-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

177.09021 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 135.3
[M+Na]+ 200.07943 145.5
[M-H]- 176.08293 141.2
[M+NH4]+ 195.12403 156.1
[M+K]+ 216.05337 144.9
[M+H-H2O]+ 160.08747 128.6
[M+HCOO]- 222.08841 161.9
[M+CH3COO]- 236.10406 187.9
[M+Na-2H]- 198.06488 143.5
[M]+ 177.08966 138.4
[M]- 177.09076 138.4
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