CID 18757250

2-[(piperidin-4-yl)amino]acetic acid dihydrochloride

Structural Information

Molecular Formula
C7H14N2O2
SMILES
C1CNCCC1NCC(=O)O
InChI
InChI=1S/C7H14N2O2/c10-7(11)5-9-6-1-3-8-4-2-6/h6,8-9H,1-5H2,(H,10,11)
InChIKey
GMYSPKJLZSKGSC-UHFFFAOYSA-N
Compound name
2-(piperidin-4-ylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

158.10553 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.11281 135.0
[M+Na]+ 181.09475 138.4
[M-H]- 157.09825 133.4
[M+NH4]+ 176.13935 152.3
[M+K]+ 197.06869 136.6
[M+H-H2O]+ 141.10279 128.6
[M+HCOO]- 203.10373 152.2
[M+CH3COO]- 217.11938 172.8
[M+Na-2H]- 179.08020 139.3
[M]+ 158.10498 127.4
[M]- 158.10608 127.4
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