CID 11166389

(1s,2s)-2-(diphenylphosphino)cyclohexanamine

Structural Information

Molecular Formula
C18H22NP
SMILES
C1CC[C@@H]([C@H](C1)N)P(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H22NP/c19-17-13-7-8-14-18(17)20(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14,19H2/t17-,18-/m0/s1
InChIKey
ZATLZEHZPXYMFE-ROUUACIJSA-N
Compound name
(1S,2S)-2-diphenylphosphanylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

283.149 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15628 169.6
[M+Na]+ 306.13822 171.7
[M-H]- 282.14172 175.9
[M+NH4]+ 301.18282 184.1
[M+K]+ 322.11216 166.7
[M+H-H2O]+ 266.14626 158.2
[M+HCOO]- 328.14720 193.8
[M+CH3COO]- 342.16285 204.1
[M+Na-2H]- 304.12367 167.7
[M]+ 283.14845 162.0
[M]- 283.14955 162.0
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