CID 206956

28958-90-9

Structural Information

Molecular Formula
C6H11N3O2
SMILES
C1C[C@H](NC(=NC1)N)C(=O)O
InChI
InChI=1S/C6H11N3O2/c7-6-8-3-1-2-4(9-6)5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/t4-/m0/s1
InChIKey
IKIABDZHSNNOSK-BYPYZUCNSA-N
Compound name
(7S)-2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.08513 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.09241 129.2
[M+Na]+ 180.07435 135.9
[M+NH4]+ 175.11895 134.4
[M+K]+ 196.04829 134.7
[M-H]- 156.07785 127.9
[M+Na-2H]- 178.05980 132.5
[M]+ 157.08458 129.3
[M]- 157.08568 129.3
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.