CID 56427

N-644

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1CC(C(=O)C2=CC=CC=C12)CN(C)C
InChI
InChI=1S/C14H19NO/c1-10-8-11(9-15(2)3)14(16)13-7-5-4-6-12(10)13/h4-7,10-11H,8-9H2,1-3H3
InChIKey
BMYUJTNCCMBFCL-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 148.7
[M+Na]+ 240.13589 155.7
[M-H]- 216.13939 154.4
[M+NH4]+ 235.18049 169.1
[M+K]+ 256.10983 153.5
[M+H-H2O]+ 200.14393 142.2
[M+HCOO]- 262.14487 170.5
[M+CH3COO]- 276.16052 197.4
[M+Na-2H]- 238.12134 153.0
[M]+ 217.14612 148.7
[M]- 217.14722 148.7
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

No patent data available for this compound.