CID 3038449

40960-78-9

Structural Information

Molecular Formula
C19H29N
SMILES
CC(C)N[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1C3=CC=CC=C3
InChI
InChI=1S/C19H29N/c1-14(2)20-19-13-17-11-7-6-10-16(17)12-18(19)15-8-4-3-5-9-15/h3-5,8-9,14,16-20H,6-7,10-13H2,1-2H3/t16-,17-,18-,19+/m1/s1
InChIKey
JYHJKXHYDLGXFP-MKXGPGLRSA-N
Compound name
(2S,3R,4aR,8aR)-3-phenyl-N-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.23 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.23728 167.2
[M+Na]+ 294.21922 168.5
[M-H]- 270.22272 172.4
[M+NH4]+ 289.26382 183.6
[M+K]+ 310.19316 164.1
[M+H-H2O]+ 254.22726 159.0
[M+HCOO]- 316.22820 182.3
[M+CH3COO]- 330.24385 176.1
[M+Na-2H]- 292.20467 168.3
[M]+ 271.22945 158.8
[M]- 271.23055 158.8
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

No patent data available for this compound.