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

481
Patents

198.13683 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 165.5
[M+Na]+ 221.126048 171.7
[M-H]- 197.129554 173.0
[M+NH4]+ 216.170653 168.8
[M+K]+ 237.099988 172.4
[M+H-H2O]+ 181.134090 156.5
[M+HCOO]- 243.135031 179.4
[M+CH3COO]- 257.150681 173.8
[M+Na-2H]- 219.111496 168.1
[M]+ 198.13628142 167.8
[M]- 198.13737858 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