CID 2760545

688763-20-4

Structural Information

Molecular Formula
C10H17N3
SMILES
C1CN(CCN1)CCN2C=CC=C2
InChI
InChI=1S/C10H17N3/c1-2-6-12(5-1)9-10-13-7-3-11-4-8-13/h1-2,5-6,11H,3-4,7-10H2
InChIKey
JEDZVCLTESTPSI-UHFFFAOYSA-N
Compound name
1-(2-pyrrol-1-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

179.14224 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.14952 142.0
[M+Na]+ 202.13146 146.7
[M-H]- 178.13496 142.0
[M+NH4]+ 197.17606 158.4
[M+K]+ 218.10540 143.5
[M+H-H2O]+ 162.13950 132.8
[M+HCOO]- 224.14044 158.7
[M+CH3COO]- 238.15609 152.5
[M+Na-2H]- 200.11691 145.9
[M]+ 179.14169 135.8
[M]- 179.14279 135.8
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