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]+ 178.097486 135.3
[M+Na]+ 200.079428 145.5
[M-H]- 176.082934 141.2
[M+NH4]+ 195.124033 156.1
[M+K]+ 216.053368 144.9
[M+H-H2O]+ 160.087470 128.6
[M+HCOO]- 222.088411 161.9
[M+CH3COO]- 236.104061 187.9
[M+Na-2H]- 198.064876 143.5
[M]+ 177.08966142 138.4
[M]- 177.09075858 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