CID 54458676

N-[(oxiran-2-yl)methyl]naphthalen-1-amine

Structural Information

Molecular Formula
C13H13NO
SMILES
C1C(O1)CNC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C13H13NO/c1-2-6-12-10(4-1)5-3-7-13(12)14-8-11-9-15-11/h1-7,11,14H,8-9H2
InChIKey
XAAQUYNDCDCWBJ-UHFFFAOYSA-N
Compound name
N-(oxiran-2-ylmethyl)naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

199.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.106996 139.5
[M+Na]+ 222.088938 148.9
[M-H]- 198.092444 148.5
[M+NH4]+ 217.133543 153.5
[M+K]+ 238.062878 146.3
[M+H-H2O]+ 182.096980 132.3
[M+HCOO]- 244.097921 163.5
[M+CH3COO]- 258.113571 153.0
[M+Na-2H]- 220.074386 149.8
[M]+ 199.09917142 142.5
[M]- 199.10026858 142.5
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

patents stripe