CID 15800938

L-alpha-amino-1h-pyrrole-1-hexanoic acid

Structural Information

Molecular Formula
C10H16N2O2
SMILES
C1=CN(C=C1)CCCCC(C(=O)O)N
InChI
InChI=1S/C10H16N2O2/c11-9(10(13)14)5-1-2-6-12-7-3-4-8-12/h3-4,7-9H,1-2,5-6,11H2,(H,13,14)
InChIKey
KVCPIDDKLUDCQJ-UHFFFAOYSA-N
Compound name
2-amino-6-pyrrol-1-ylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

196.12119 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.12847 146.0
[M+Na]+ 219.11041 151.1
[M-H]- 195.11391 146.0
[M+NH4]+ 214.15501 164.2
[M+K]+ 235.08435 149.2
[M+H-H2O]+ 179.11845 139.0
[M+HCOO]- 241.11939 167.2
[M+CH3COO]- 255.13504 183.5
[M+Na-2H]- 217.09586 147.6
[M]+ 196.12064 144.6
[M]- 196.12174 144.6
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