CID 21882539

412356-27-5

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CC(CCC1C2=NC3=CC=CC=C3O2)N
InChI
InChI=1S/C13H16N2O/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8,14H2
InChIKey
CPGQDMOBVHCUST-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

216.12627 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.133546 146.3
[M+Na]+ 239.115488 153.8
[M-H]- 215.118994 152.7
[M+NH4]+ 234.160093 164.5
[M+K]+ 255.089428 150.8
[M+H-H2O]+ 199.123530 138.8
[M+HCOO]- 261.124471 167.2
[M+CH3COO]- 275.140121 159.0
[M+Na-2H]- 237.100936 152.0
[M]+ 216.12572142 143.4
[M]- 216.12681858 143.4
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