CID 126335

Clazamycin b

Structural Information

Molecular Formula
C7H9ClN2O
SMILES
C1[C@@H](CN2[C@]1(C=CC2=N)O)Cl
InChI
InChI=1S/C7H9ClN2O/c8-5-3-7(11)2-1-6(9)10(7)4-5/h1-2,5,9,11H,3-4H2/t5-,7+/m0/s1
InChIKey
DVCHIDKMDZZKBR-CAHLUQPWSA-N
Compound name
(2S,8S)-2-chloro-5-imino-2,3-dihydro-1H-pyrrolizin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

172.04034 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.047616 134.6
[M+Na]+ 195.029558 144.5
[M-H]- 171.033064 136.9
[M+NH4]+ 190.074163 160.2
[M+K]+ 211.003498 140.1
[M+H-H2O]+ 155.037600 130.6
[M+HCOO]- 217.038541 152.3
[M+CH3COO]- 231.054191 175.5
[M+Na-2H]- 193.015006 139.2
[M]+ 172.03979142 132.6
[M]- 172.04088858 132.6
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