CID 19907047

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

Structural Information

Molecular Formula
C14H15NO
SMILES
CN(CC1CO1)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C14H15NO/c1-15(9-12-10-16-12)14-8-4-6-11-5-2-3-7-13(11)14/h2-8,12H,9-10H2,1H3
InChIKey
JEHHSIVTFHUPAN-UHFFFAOYSA-N
Compound name
N-methyl-N-(oxiran-2-ylmethyl)naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

213.11537 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.122646 145.4
[M+Na]+ 236.104588 154.4
[M-H]- 212.108094 155.6
[M+NH4]+ 231.149193 159.4
[M+K]+ 252.078528 152.9
[M+H-H2O]+ 196.112630 137.7
[M+HCOO]- 258.113571 169.4
[M+CH3COO]- 272.129221 158.8
[M+Na-2H]- 234.090036 154.3
[M]+ 213.11482142 149.7
[M]- 213.11591858 149.7
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