CID 218628

40960-62-1

Structural Information

Molecular Formula
C13H21N
SMILES
C[C@@H](C1=CC=CC=C1)[C@@H](C)NC(C)C
InChI
InChI=1S/C13H21N/c1-10(2)14-12(4)11(3)13-8-6-5-7-9-13/h5-12,14H,1-4H3/t11-,12-/m1/s1
InChIKey
XJQQJHAMPXNGPH-VXGBXAGGSA-N
Compound name
(2R,3S)-3-phenyl-N-propan-2-ylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.1674 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.17468 147.8
[M+Na]+ 214.15662 151.9
[M-H]- 190.16012 150.8
[M+NH4]+ 209.20122 166.9
[M+K]+ 230.13056 150.4
[M+H-H2O]+ 174.16466 141.4
[M+HCOO]- 236.16560 169.0
[M+CH3COO]- 250.18125 190.9
[M+Na-2H]- 212.14207 150.4
[M]+ 191.16685 146.5
[M]- 191.16795 146.5
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.