CID 379597

4-indanamine, n-(2-oxazolinyl)-

Structural Information

Molecular Formula
C12H14N2O
SMILES
C1CC2=C(C1)C(=CC=C2)NC3=NCCO3
InChI
InChI=1S/C12H14N2O/c1-3-9-4-2-6-11(10(9)5-1)14-12-13-7-8-15-12/h2,4,6H,1,3,5,7-8H2,(H,13,14)
InChIKey
SQFANIIAUQAPRG-UHFFFAOYSA-N
Compound name
N-(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

1
References

0
Patents

202.11061 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe