CID 15343158

196192-08-2

Structural Information

Molecular Formula
C7H14N2O2
SMILES
COC(=O)CN1CCNCC1
InChI
InChI=1S/C7H14N2O2/c1-11-7(10)6-9-4-2-8-3-5-9/h8H,2-6H2,1H3
InChIKey
UHHVABRWHRKEPJ-UHFFFAOYSA-N
Compound name
methyl 2-piperazin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

158.10553 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 135.8
[M+Na]+ 181.094748 140.6
[M-H]- 157.098254 134.3
[M+NH4]+ 176.139353 152.9
[M+K]+ 197.068688 139.7
[M+H-H2O]+ 141.102790 128.7
[M+HCOO]- 203.103731 152.2
[M+CH3COO]- 217.119381 172.5
[M+Na-2H]- 179.080196 140.3
[M]+ 158.10498142 131.3
[M]- 158.10607858 131.3
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