CID 2734555

(r,r)-me-bpe

Structural Information

Molecular Formula
C14H28P2
SMILES
C[C@@H]1CC[C@H](P1CCP2[C@@H](CC[C@H]2C)C)C
InChI
InChI=1S/C14H28P2/c1-11-5-6-12(2)15(11)9-10-16-13(3)7-8-14(16)4/h11-14H,5-10H2,1-4H3/t11-,12-,13-,14-/m1/s1
InChIKey
IRCDUOCGSIGEAI-AAVRWANBSA-N
Compound name
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]ethyl]-2,5-dimethylphospholane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

300
Patents

258.16663 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.17391 168.1
[M+Na]+ 281.15585 172.6
[M-H]- 257.15935 171.5
[M+NH4]+ 276.20045 189.9
[M+K]+ 297.12979 169.9
[M+H-H2O]+ 241.16389 158.1
[M+HCOO]- 303.16483 197.8
[M+CH3COO]- 317.18048 202.8
[M+Na-2H]- 279.14130 157.7
[M]+ 258.16608 166.9
[M]- 258.16718 166.9
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