CID 200716

Brn 1314691

Structural Information

Molecular Formula
C12H26N3OP
SMILES
CCCCCCCCNP(=O)(N1CC1)N2CC2
InChI
InChI=1S/C12H26N3OP/c1-2-3-4-5-6-7-8-13-17(16,14-9-10-14)15-11-12-15/h2-12H2,1H3,(H,13,16)
InChIKey
WRSYKVMDTDDMCD-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.18134 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.18862 181.4
[M+Na]+ 282.17056 186.4
[M-H]- 258.17406 184.0
[M+NH4]+ 277.21516 185.3
[M+K]+ 298.14450 182.8
[M+H-H2O]+ 242.17860 171.6
[M+HCOO]- 304.17954 202.9
[M+CH3COO]- 318.19519 210.1
[M+Na-2H]- 280.15601 180.7
[M]+ 259.18079 187.0
[M]- 259.18189 187.0
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

No patent data available for this compound.