CID 122645

100447-51-6

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CCC2=CC=CC=C2C(C1)NC3=NCCO3
InChI
InChI=1S/C14H18N2O/c1-3-7-12-11(5-1)6-2-4-8-13(12)16-14-15-9-10-17-14/h1,3,5,7,13H,2,4,6,8-10H2,(H,15,16)
InChIKey
GQWZJFITVXRTKC-UHFFFAOYSA-N
Compound name
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 150.8
[M+Na]+ 253.131118 154.7
[M-H]- 229.134624 157.9
[M+NH4]+ 248.175723 167.1
[M+K]+ 269.105058 155.6
[M+H-H2O]+ 213.139160 143.5
[M+HCOO]- 275.140101 169.9
[M+CH3COO]- 289.155751 161.9
[M+Na-2H]- 251.116566 156.1
[M]+ 230.14135142 144.4
[M]- 230.14244858 144.4
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

No patent data available for this compound.