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

29
Patents

179.14224 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.149516 142.0
[M+Na]+ 202.131458 146.7
[M-H]- 178.134964 142.0
[M+NH4]+ 197.176063 158.4
[M+K]+ 218.105398 143.5
[M+H-H2O]+ 162.139500 132.8
[M+HCOO]- 224.140441 158.7
[M+CH3COO]- 238.156091 152.5
[M+Na-2H]- 200.116906 145.9
[M]+ 179.14169142 135.8
[M]- 179.14278858 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