CID 3063845

101692-41-5

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1CC2=C(C1)C(=CC=C2)NC3=NCCO3
InChI
InChI=1S/C13H16N2O/c1-9-7-10-3-2-4-12(11(10)8-9)15-13-14-5-6-16-13/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKey
YBDCIZVTGHEHAR-UHFFFAOYSA-N
Compound name
N-(2-methyl-2,3-dihydro-1H-inden-4-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 148.2
[M+Na]+ 239.11549 159.7
[M+NH4]+ 234.16009 157.6
[M+K]+ 255.08943 156.7
[M-H]- 215.11899 153.6
[M+Na-2H]- 237.10094 153.9
[M]+ 216.12572 151.3
[M]- 216.12682 151.3
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.