CID 128153

102691-36-1

Structural Information

Molecular Formula
C15H32N3OP
SMILES
CC(C)N(C(C)C)P(N(C(C)C)C(C)C)OCCC#N
InChI
InChI=1S/C15H32N3OP/c1-12(2)17(13(3)4)20(19-11-9-10-16)18(14(5)6)15(7)8/h12-15H,9,11H2,1-8H3
InChIKey
RKVHNYJPIXOHRW-UHFFFAOYSA-N
Compound name
3-bis[di(propan-2-yl)amino]phosphanyloxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4404
Patents

301.2283 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.23558 174.7
[M+Na]+ 324.21752 177.4
[M-H]- 300.22102 175.6
[M+NH4]+ 319.26212 189.2
[M+K]+ 340.19146 180.1
[M+H-H2O]+ 284.22556 159.4
[M+HCOO]- 346.22650 195.4
[M+CH3COO]- 360.24215 233.0
[M+Na-2H]- 322.20297 167.6
[M]+ 301.22775 174.7
[M]- 301.22885 174.7
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.