CID 38901

1-naphthylamine, n-isopropyl-5-methoxy-1,2,3,4-tetrahydro-, hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CC(C)NC1CCCC2=C1C=CC=C2OC
InChI
InChI=1S/C14H21NO/c1-10(2)15-13-8-4-7-12-11(13)6-5-9-14(12)16-3/h5-6,9-10,13,15H,4,7-8H2,1-3H3
InChIKey
YUSXGZCTJMZLNW-UHFFFAOYSA-N
Compound name
5-methoxy-N-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 150.9
[M+Na]+ 242.15153 156.2
[M-H]- 218.15503 154.7
[M+NH4]+ 237.19613 170.3
[M+K]+ 258.12547 153.7
[M+H-H2O]+ 202.15957 144.4
[M+HCOO]- 264.16051 171.0
[M+CH3COO]- 278.17616 194.5
[M+Na-2H]- 240.13698 155.4
[M]+ 219.16176 149.3
[M]- 219.16286 149.3
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

No patent data available for this compound.