CID 7129103

1461689-29-1

Structural Information

Molecular Formula
C12H17N
SMILES
C[C@@H](C1=CC2=C(CCCC2)C=C1)N
InChI
InChI=1S/C12H17N/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h6-9H,2-5,13H2,1H3/t9-/m0/s1
InChIKey
YJZYMMDEDLLIIP-VIFPVBQESA-N
Compound name
(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

175.1361 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.143376 139.0
[M+Na]+ 198.125318 144.4
[M-H]- 174.128824 142.4
[M+NH4]+ 193.169923 159.7
[M+K]+ 214.099258 141.4
[M+H-H2O]+ 158.133360 133.0
[M+HCOO]- 220.134301 159.0
[M+CH3COO]- 234.149951 184.6
[M+Na-2H]- 196.110766 144.3
[M]+ 175.13555142 133.9
[M]- 175.13664858 133.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe