CID 29637

2-naphthylamine, n-ethyl-1,2,3,4-tetrahydro-

Structural Information

Molecular Formula
C12H17N
SMILES
CCNC1CCCC2=CC=CC=C12
InChI
InChI=1S/C12H17N/c1-2-13-12-9-5-7-10-6-3-4-8-11(10)12/h3-4,6,8,12-13H,2,5,7,9H2,1H3
InChIKey
YCQQIGNKPQHCNT-UHFFFAOYSA-N
Compound name
N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

175.1361 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.14338 137.7
[M+Na]+ 198.12532 143.3
[M-H]- 174.12882 141.5
[M+NH4]+ 193.16992 158.8
[M+K]+ 214.09926 140.2
[M+H-H2O]+ 158.13336 131.5
[M+HCOO]- 220.13430 159.4
[M+CH3COO]- 234.14995 184.4
[M+Na-2H]- 196.11077 145.3
[M]+ 175.13555 134.2
[M]- 175.13665 134.2
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