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]+ 231.14918 151.0
[M+Na]+ 253.13112 156.1
[M-H]- 229.13462 156.9
[M+NH4]+ 248.17572 168.4
[M+K]+ 269.10506 153.5
[M+H-H2O]+ 213.13916 142.9
[M+HCOO]- 275.14010 170.8
[M+CH3COO]- 289.15575 162.6
[M+Na-2H]- 251.11657 156.9
[M]+ 230.14135 147.5
[M]- 230.14245 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.