CID 10874697

203000-48-0

Structural Information

Molecular Formula
C12H28P2
SMILES
CC(C)(C)[P@@](C)CC[P@](C)C(C)(C)C
InChI
InChI=1S/C12H28P2/c1-11(2,3)13(7)9-10-14(8)12(4,5)6/h9-10H2,1-8H3/t13-,14-/m0/s1
InChIKey
SIMSUOWKMVWQAI-KBPBESRZSA-N
Compound name
(S)-tert-butyl-[2-[tert-butyl(methyl)phosphanyl]ethyl]-methylphosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

234.16663 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.17391 172.4
[M+Na]+ 257.15585 177.2
[M-H]- 233.15935 170.2
[M+NH4]+ 252.20045 192.2
[M+K]+ 273.12979 176.6
[M+H-H2O]+ 217.16389 163.9
[M+HCOO]- 279.16483 199.3
[M+CH3COO]- 293.18048 200.9
[M+Na-2H]- 255.14130 168.6
[M]+ 234.16608 177.1
[M]- 234.16718 177.1
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