CID 118250735

1048985-37-0

Structural Information

Molecular Formula
C15H27N2O2P
SMILES
CC(C)N(C(C)C)P(OCCCCC#C)OCCC#N
InChI
InChI=1S/C15H27N2O2P/c1-6-7-8-9-12-18-20(19-13-10-11-16)17(14(2)3)15(4)5/h1,14-15H,7-10,12-13H2,2-5H3
InChIKey
IFNKHZIJWLUIHZ-UHFFFAOYSA-N
Compound name
3-[[di(propan-2-yl)amino]-hex-5-ynoxyphosphanyl]oxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

298.18103 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.18831 163.4
[M+Na]+ 321.17025 169.1
[M-H]- 297.17375 164.1
[M+NH4]+ 316.21485 174.1
[M+K]+ 337.14419 168.5
[M+H-H2O]+ 281.17829 147.2
[M+HCOO]- 343.17923 176.2
[M+CH3COO]- 357.19488 233.1
[M+Na-2H]- 319.15570 159.9
[M]+ 298.18048 160.0
[M]- 298.18158 160.0
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

patents stripe