CID 10242548

3904-24-3

Structural Information

Molecular Formula
C14H21NO
SMILES
CCCNC1CCC2=C(C1)C=CC=C2OC
InChI
InChI=1S/C14H21NO/c1-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16-2/h4-6,12,15H,3,7-10H2,1-2H3
InChIKey
ICJPCRXVYMMSJY-UHFFFAOYSA-N
Compound name
5-methoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

154
Patents

219.16231 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 150.4
[M+Na]+ 242.15153 155.9
[M-H]- 218.15503 154.1
[M+NH4]+ 237.19613 169.8
[M+K]+ 258.12547 152.9
[M+H-H2O]+ 202.15957 143.7
[M+HCOO]- 264.16051 171.5
[M+CH3COO]- 278.17616 193.6
[M+Na-2H]- 240.13698 156.1
[M]+ 219.16176 149.4
[M]- 219.16286 149.4
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.