CID 39836

L-name

Structural Information

Molecular Formula
C7H15N5O4
SMILES
COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N
InChI
InChI=1S/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/t5-/m0/s1
InChIKey
KCWZGJVSDFYRIX-YFKPBYRVSA-N
Compound name
methyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

13344
References

7275
Patents

233.11241 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11969 146.8
[M+Na]+ 256.10163 149.4
[M-H]- 232.10513 147.1
[M+NH4]+ 251.14623 162.1
[M+K]+ 272.07557 146.6
[M+H-H2O]+ 216.10967 143.9
[M+HCOO]- 278.11061 173.5
[M+CH3COO]- 292.12626 194.7
[M+Na-2H]- 254.08708 150.4
[M]+ 233.11186 142.8
[M]- 233.11296 142.8
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