CID 3063846

2-(2-indanylamino)-2-oxazoline

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1COC(=N1)NC2CC3=CC=CC=C3C2
InChI
InChI=1S/C12H14N2O/c1-2-4-10-8-11(7-9(10)3-1)14-12-13-5-6-15-12/h1-4,11H,5-8H2,(H,13,14)
InChIKey
RVFWFFFWSXVLQD-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1H-inden-2-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

202.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 142.1
[M+Na]+ 225.09983 149.0
[M-H]- 201.10333 149.0
[M+NH4]+ 220.14443 162.7
[M+K]+ 241.07377 147.1
[M+H-H2O]+ 185.10787 135.3
[M+HCOO]- 247.10881 164.9
[M+CH3COO]- 261.12446 155.4
[M+Na-2H]- 223.08528 147.5
[M]+ 202.11006 140.3
[M]- 202.11116 140.3
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

patents stripe