CID 2757959

722491-37-4

Structural Information

Molecular Formula
C9H15N3O2
SMILES
C1CN(CCN1CCC#N)CC(=O)O
InChI
InChI=1S/C9H15N3O2/c10-2-1-3-11-4-6-12(7-5-11)8-9(13)14/h1,3-8H2,(H,13,14)
InChIKey
XOTISHXWZPZELM-UHFFFAOYSA-N
Compound name
2-[4-(2-cyanoethyl)piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.11642 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 146.7
[M+Na]+ 220.10564 155.4
[M+NH4]+ 215.15024 149.5
[M+K]+ 236.07958 147.8
[M-H]- 196.10914 138.6
[M+Na-2H]- 218.09109 147.1
[M]+ 197.11587 144.4
[M]- 197.11697 144.4
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

No patent data available for this compound.