CID 159847

L-lombricine zwitterion

Structural Information

Molecular Formula
C6H15N4O6P
SMILES
C(COP(=O)(O)OC[C@@H](C(=O)O)N)N=C(N)N
InChI
InChI=1S/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)/t4-/m0/s1
InChIKey
GSDBGCKBBJVPNC-BYPYZUCNSA-N
Compound name
(2S)-2-amino-3-[2-(diaminomethylideneamino)ethoxy-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

10079
Patents

270.0729 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08018 154.3
[M+Na]+ 293.06212 156.7
[M-H]- 269.06562 150.2
[M+NH4]+ 288.10672 167.5
[M+K]+ 309.03606 158.3
[M+H-H2O]+ 253.07016 145.0
[M+HCOO]- 315.07110 180.9
[M+CH3COO]- 329.08675 203.4
[M+Na-2H]- 291.04757 153.1
[M]+ 270.07235 152.3
[M]- 270.07345 152.3
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