CID 2762732

54699-92-2

Structural Information

Molecular Formula
C7H14N2O2
SMILES
CN1CCN(CC1)CC(=O)O
InChI
InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKey
JCXZKUZXVQKENT-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1316
Patents

158.10553 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.112806 135.3
[M+Na]+ 181.094748 141.0
[M-H]- 157.098254 134.1
[M+NH4]+ 176.139353 152.6
[M+K]+ 197.068688 140.0
[M+H-H2O]+ 141.102790 128.5
[M+HCOO]- 203.103731 151.6
[M+CH3COO]- 217.119381 174.3
[M+Na-2H]- 179.080196 139.1
[M]+ 158.10498142 131.2
[M]- 158.10607858 131.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe