CID 9589180

Brn 4252914

Structural Information

Molecular Formula
C8H13N3O3
SMILES
CC(=O)O/N=C(/CN1CCCC1=O)\N
InChI
InChI=1S/C8H13N3O3/c1-6(12)14-10-7(9)5-11-4-2-3-8(11)13/h2-5H2,1H3,(H2,9,10)
InChIKey
LMZHNGXORTXFAL-UHFFFAOYSA-N
Compound name
[(Z)-[1-amino-2-(2-oxopyrrolidin-1-yl)ethylidene]amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.09569 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.10297 142.8
[M+Na]+ 222.08491 148.3
[M-H]- 198.08841 145.6
[M+NH4]+ 217.12951 162.0
[M+K]+ 238.05885 148.4
[M+H-H2O]+ 182.09295 135.6
[M+HCOO]- 244.09389 166.4
[M+CH3COO]- 258.10954 188.6
[M+Na-2H]- 220.07036 144.4
[M]+ 199.09514 141.1
[M]- 199.09624 141.1
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.