CID 49913

N-heptyl-1,2,3,4-tetrahydro-6-methoxy-1-naphthylamine methanesulfonate

Structural Information

Molecular Formula
C18H29NO
SMILES
CCCCCCCNC1CCCC2=C1C=CC(=C2)OC
InChI
InChI=1S/C18H29NO/c1-3-4-5-6-7-13-19-18-10-8-9-15-14-16(20-2)11-12-17(15)18/h11-12,14,18-19H,3-10,13H2,1-2H3
InChIKey
PKIDTLMQYNIGIE-UHFFFAOYSA-N
Compound name
N-heptyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

275.2249 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.23218 168.8
[M+Na]+ 298.21412 172.5
[M-H]- 274.21762 171.7
[M+NH4]+ 293.25872 185.9
[M+K]+ 314.18806 168.5
[M+H-H2O]+ 258.22216 161.2
[M+HCOO]- 320.22310 188.5
[M+CH3COO]- 334.23875 205.7
[M+Na-2H]- 296.19957 172.3
[M]+ 275.22435 169.1
[M]- 275.22545 169.1
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