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

7
Patents

230.1419 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 151.7
[M+Na]+ 253.13112 157.8
[M-H]- 229.13462 158.0
[M+NH4]+ 248.17572 169.5
[M+K]+ 269.10506 155.1
[M+H-H2O]+ 213.13916 143.9
[M+HCOO]- 275.14010 171.5
[M+CH3COO]- 289.15575 163.7
[M+Na-2H]- 251.11657 156.8
[M]+ 230.14135 148.6
[M]- 230.14245 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