CID 59146

101931-37-7

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CCC2=C(C1)C=CC=C2CNC3=NCCO3
InChI
InChI=1S/C14H18N2O/c1-2-7-13-11(4-1)5-3-6-12(13)10-16-14-15-8-9-17-14/h3,5-6H,1-2,4,7-10H2,(H,15,16)
InChIKey
RQEWSHOBBNZGQY-UHFFFAOYSA-N
Compound name
N-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)-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

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 151.0
[M+Na]+ 253.131118 156.1
[M-H]- 229.134624 156.9
[M+NH4]+ 248.175723 168.4
[M+K]+ 269.105058 153.5
[M+H-H2O]+ 213.139160 142.9
[M+HCOO]- 275.140101 170.8
[M+CH3COO]- 289.155751 162.6
[M+Na-2H]- 251.116566 156.9
[M]+ 230.14135142 147.5
[M]- 230.14244858 147.5
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.