CID 18331743

N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine hydrochloride

Structural Information

Molecular Formula
C13H19N
SMILES
CCCNC1CCC2=CC=CC=C2C1
InChI
InChI=1S/C13H19N/c1-2-9-14-13-8-7-11-5-3-4-6-12(11)10-13/h3-6,13-14H,2,7-10H2,1H3
InChIKey
CHNZNFYUKYAHER-UHFFFAOYSA-N
Compound name
N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

189.15175 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 142.4
[M+Na]+ 212.14097 147.5
[M-H]- 188.14447 146.0
[M+NH4]+ 207.18557 162.8
[M+K]+ 228.11491 144.2
[M+H-H2O]+ 172.14901 135.9
[M+HCOO]- 234.14995 163.7
[M+CH3COO]- 248.16560 187.5
[M+Na-2H]- 210.12642 149.4
[M]+ 189.15120 139.2
[M]- 189.15230 139.2
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