CID 11643967

Amidinoproline

Structural Information

Molecular Formula
C6H11N3O2
SMILES
C1C[C@H](N(C1)C(=N)N)C(=O)O
InChI
InChI=1S/C6H11N3O2/c7-6(8)9-3-1-2-4(9)5(10)11/h4H,1-3H2,(H3,7,8)(H,10,11)/t4-/m0/s1
InChIKey
ZXPRYJHVDMWTMA-BYPYZUCNSA-N
Compound name
(2S)-1-carbamimidoylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

98
Patents

157.08513 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09241 133.8
[M+Na]+ 180.07435 139.5
[M+NH4]+ 175.11895 139.6
[M+K]+ 196.04829 139.2
[M-H]- 156.07785 132.9
[M+Na-2H]- 178.05980 135.3
[M]+ 157.08458 133.5
[M]- 157.08568 133.5
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