CID 175171

Einecs 276-849-8

Structural Information

Molecular Formula
C15H26N2O2
SMILES
CC1CN1C(=O)CCCCCCCC(=O)N2CC2C
InChI
InChI=1S/C15H26N2O2/c1-12-10-16(12)14(18)8-6-4-3-5-7-9-15(19)17-11-13(17)2/h12-13H,3-11H2,1-2H3
InChIKey
ACWZISJYAYAEPT-UHFFFAOYSA-N
Compound name
1,9-bis(2-methylaziridin-1-yl)nonane-1,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

266.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.206706 181.8
[M+Na]+ 289.188648 188.2
[M-H]- 265.192154 185.7
[M+NH4]+ 284.233253 185.6
[M+K]+ 305.162588 183.8
[M+H-H2O]+ 249.196690 173.9
[M+HCOO]- 311.197631 197.3
[M+CH3COO]- 325.213281 210.4
[M+Na-2H]- 287.174096 179.0
[M]+ 266.19888142 188.4
[M]- 266.19997858 188.4
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