CID 33243

1,4-butanediol, bis(1-aziridinepropionate)

Structural Information

Molecular Formula
C14H24N2O4
SMILES
C1CN1CCC(=O)OCCCCOC(=O)CCN2CC2
InChI
InChI=1S/C14H24N2O4/c17-13(3-5-15-7-8-15)19-11-1-2-12-20-14(18)4-6-16-9-10-16/h1-12H2
InChIKey
PBKXFPQIPLUFMC-UHFFFAOYSA-N
Compound name
4-[3-(aziridin-1-yl)propanoyloxy]butyl 3-(aziridin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

284.1736 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.18088 185.9
[M+Na]+ 307.16282 191.0
[M-H]- 283.16632 189.3
[M+NH4]+ 302.20742 188.5
[M+K]+ 323.13676 187.6
[M+H-H2O]+ 267.17086 177.6
[M+HCOO]- 329.17180 202.0
[M+CH3COO]- 343.18745 209.3
[M+Na-2H]- 305.14827 184.5
[M]+ 284.17305 193.9
[M]- 284.17415 193.9
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