CID 59777016

2-[(dimethylamino)methyl]-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C10H13N3O
SMILES
CN(C)CC1=NC2=C(O1)C=CC(=C2)N
InChI
InChI=1S/C10H13N3O/c1-13(2)6-10-12-8-5-7(11)3-4-9(8)14-10/h3-5H,6,11H2,1-2H3
InChIKey
UHEGQCHRSZABRL-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.10587 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 140.1
[M+Na]+ 214.09509 149.8
[M-H]- 190.09859 145.8
[M+NH4]+ 209.13969 160.3
[M+K]+ 230.06903 149.0
[M+H-H2O]+ 174.10313 133.1
[M+HCOO]- 236.10407 166.4
[M+CH3COO]- 250.11972 190.9
[M+Na-2H]- 212.08054 147.8
[M]+ 191.10532 143.5
[M]- 191.10642 143.5
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