CID 64980953

1-(furan-2-carbonyl)-3-methylpiperazine

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC1CN(CCN1)C(=O)C2=CC=CO2
InChI
InChI=1S/C10H14N2O2/c1-8-7-12(5-4-11-8)10(13)9-3-2-6-14-9/h2-3,6,8,11H,4-5,7H2,1H3
InChIKey
HCSDYDJYVLRACX-UHFFFAOYSA-N
Compound name
furan-2-yl-(3-methylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

194.10553 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.4
[M+Na]+ 217.09475 149.1
[M-H]- 193.09825 146.1
[M+NH4]+ 212.13935 159.4
[M+K]+ 233.06869 147.8
[M+H-H2O]+ 177.10279 135.7
[M+HCOO]- 239.10373 160.1
[M+CH3COO]- 253.11938 178.3
[M+Na-2H]- 215.08020 146.2
[M]+ 194.10498 139.1
[M]- 194.10608 139.1
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