CID 82281285

1368796-45-5

Structural Information

Molecular Formula
C11H14N2O
SMILES
CC(C)C1=NC2=C(O1)C=CC(=C2)CN
InChI
InChI=1S/C11H14N2O/c1-7(2)11-13-9-5-8(6-12)3-4-10(9)14-11/h3-5,7H,6,12H2,1-2H3
InChIKey
GQEBLGZHIZBDCH-UHFFFAOYSA-N
Compound name
(2-propan-2-yl-1,3-benzoxazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.11061 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.11789 141.1
[M+Na]+ 213.09983 151.0
[M-H]- 189.10333 145.4
[M+NH4]+ 208.14443 161.1
[M+K]+ 229.07377 149.1
[M+H-H2O]+ 173.10787 134.8
[M+HCOO]- 235.10881 164.6
[M+CH3COO]- 249.12446 186.4
[M+Na-2H]- 211.08528 147.4
[M]+ 190.11006 143.8
[M]- 190.11116 143.8
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.