CID 12364326

Benzyl(methyl)[(oxiran-2-yl)methyl]amine

Structural Information

Molecular Formula
C11H15NO
SMILES
CN(CC1CO1)CC2=CC=CC=C2
InChI
InChI=1S/C11H15NO/c1-12(8-11-9-13-11)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3
InChIKey
CXGKOQYNBRYUFC-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-1-(oxiran-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

177.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 137.6
[M+Na]+ 200.10459 145.5
[M-H]- 176.10809 147.0
[M+NH4]+ 195.14919 151.9
[M+K]+ 216.07853 145.3
[M+H-H2O]+ 160.11263 130.1
[M+HCOO]- 222.11357 162.8
[M+CH3COO]- 236.12922 189.2
[M+Na-2H]- 198.09004 145.8
[M]+ 177.11482 141.8
[M]- 177.11592 141.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe