CID 257724

3-(n-benzyl-n-methylaminomethyl)-2-norbornanone

Structural Information

Molecular Formula
C16H21NO
SMILES
CN(CC1C2CCC(C2)C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C16H21NO/c1-17(10-12-5-3-2-4-6-12)11-15-13-7-8-14(9-13)16(15)18/h2-6,13-15H,7-11H2,1H3
InChIKey
BWUZBNNHJQRYEW-UHFFFAOYSA-N
Compound name
3-[[benzyl(methyl)amino]methyl]bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.16231 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.16959 158.9
[M+Na]+ 266.15153 164.4
[M-H]- 242.15503 165.9
[M+NH4]+ 261.19613 181.7
[M+K]+ 282.12547 161.4
[M+H-H2O]+ 226.15957 152.7
[M+HCOO]- 288.16051 181.3
[M+CH3COO]- 302.17616 199.6
[M+Na-2H]- 264.13698 159.9
[M]+ 243.16176 158.6
[M]- 243.16286 158.6
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