CID 91299

Dtxsid90885287

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)N=NC(C)(CCC(=O)O)C#N
InChI
InChI=1S/C10H17N3O2/c1-9(2,3)12-13-10(4,7-11)6-5-8(14)15/h5-6H2,1-4H3,(H,14,15)
InChIKey
LPIJERWHZYVVLP-UHFFFAOYSA-N
Compound name
4-(tert-butyldiazenyl)-4-cyanopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

236
Patents

211.13208 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 152.8
[M+Na]+ 234.12130 159.6
[M-H]- 210.12480 154.6
[M+NH4]+ 229.16590 169.7
[M+K]+ 250.09524 160.7
[M+H-H2O]+ 194.12934 141.0
[M+HCOO]- 256.13028 171.9
[M+CH3COO]- 270.14593 206.1
[M+Na-2H]- 232.10675 158.1
[M]+ 211.13153 150.0
[M]- 211.13263 150.0
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.