CID 63090911

N-methyl-2-(propan-2-yl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(C)C1=NC2=C(O1)C=CC(=C2)NC
InChI
InChI=1S/C11H14N2O/c1-7(2)11-13-9-6-8(12-3)4-5-10(9)14-11/h4-7,12H,1-3H3
InChIKey
YOHYRCBANLZZSJ-UHFFFAOYSA-N
Compound name
N-methyl-2-propan-2-yl-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 140.6
[M+Na]+ 213.09983 150.4
[M-H]- 189.10333 145.3
[M+NH4]+ 208.14443 160.8
[M+K]+ 229.07377 148.9
[M+H-H2O]+ 173.10787 134.2
[M+HCOO]- 235.10881 164.7
[M+CH3COO]- 249.12446 187.0
[M+Na-2H]- 211.08528 147.9
[M]+ 190.11006 144.2
[M]- 190.11116 144.2
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.