CID 3060109

1-naphthylamine, 5,6,7,8-tetrahydro-2-methyl-n-(2-oxazolin-2-yl)-

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1=C(C2=C(CCCC2)C=C1)NC3=NCCO3
InChI
InChI=1S/C14H18N2O/c1-10-6-7-11-4-2-3-5-12(11)13(10)16-14-15-8-9-17-14/h6-7H,2-5,8-9H2,1H3,(H,15,16)
InChIKey
QZLAWYWFEKLYBP-UHFFFAOYSA-N
Compound name
N-(2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

230.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 151.7
[M+Na]+ 253.131118 157.8
[M-H]- 229.134624 158.0
[M+NH4]+ 248.175723 169.5
[M+K]+ 269.105058 155.1
[M+H-H2O]+ 213.139160 143.9
[M+HCOO]- 275.140101 171.5
[M+CH3COO]- 289.155751 163.7
[M+Na-2H]- 251.116566 156.8
[M]+ 230.14135142 148.6
[M]- 230.14244858 148.6
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