CID 3064029

2-(3-methyl-4-indanylamino)-2-oxazoline

Structural Information

Molecular Formula
C13H16N2O
SMILES
CC1CCC2=C1C(=CC=C2)NC3=NCCO3
InChI
InChI=1S/C13H16N2O/c1-9-5-6-10-3-2-4-11(12(9)10)15-13-14-7-8-16-13/h2-4,9H,5-8H2,1H3,(H,14,15)
InChIKey
PFPPRZQLMZXVNI-UHFFFAOYSA-N
Compound name
N-(3-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 147.3
[M+Na]+ 239.11549 154.7
[M-H]- 215.11899 154.4
[M+NH4]+ 234.16009 167.6
[M+K]+ 255.08943 152.5
[M+H-H2O]+ 199.12353 140.7
[M+HCOO]- 261.12447 169.7
[M+CH3COO]- 275.14012 160.5
[M+Na-2H]- 237.10094 151.4
[M]+ 216.12572 146.3
[M]- 216.12682 146.3
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.