CID 98074

2917-98-8

Structural Information

Molecular Formula
C10H18N2O2
SMILES
C1CN(CCN1CC2CO2)CC3CO3
InChI
InChI=1S/C10H18N2O2/c1-2-12(6-10-8-14-10)4-3-11(1)5-9-7-13-9/h9-10H,1-8H2
InChIKey
XNWUTCRFGMBUOP-UHFFFAOYSA-N
Compound name
1,4-bis(oxiran-2-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

506
Patents

198.13683 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 165.5
[M+Na]+ 221.12605 171.7
[M-H]- 197.12955 173.0
[M+NH4]+ 216.17065 168.8
[M+K]+ 237.09999 172.4
[M+H-H2O]+ 181.13409 156.5
[M+HCOO]- 243.13503 179.4
[M+CH3COO]- 257.15068 173.8
[M+Na-2H]- 219.11150 168.1
[M]+ 198.13628 167.8
[M]- 198.13738 167.8
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