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]+ 214.12265 145.4
[M+Na]+ 236.10459 154.4
[M-H]- 212.10809 155.6
[M+NH4]+ 231.14919 159.4
[M+K]+ 252.07853 152.9
[M+H-H2O]+ 196.11263 137.7
[M+HCOO]- 258.11357 169.4
[M+CH3COO]- 272.12922 158.8
[M+Na-2H]- 234.09004 154.3
[M]+ 213.11482 149.7
[M]- 213.11592 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