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 139.8
[M+Na]+ 220.10564 146.3
[M-H]- 196.10914 138.2
[M+NH4]+ 215.15024 153.7
[M+K]+ 236.07958 144.4
[M+H-H2O]+ 180.11368 125.9
[M+HCOO]- 242.11462 152.7
[M+CH3COO]- 256.13027 193.8
[M+Na-2H]- 218.09109 143.0
[M]+ 197.11587 131.7
[M]- 197.11697 131.7
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.