CID 10242548

2-naphthalenamine, 1,2,3,4-tetrahydro-5-methoxy-n-propyl-, hydrochloride (1:1)

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

147
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

literature stripe

Patent stripe

patents stripe