CID 4124838

N,n'-di-boc-guanidine

Structural Information

Molecular Formula
C11H21N3O4
SMILES
CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)N
InChI
InChI=1S/C11H21N3O4/c1-10(2,3)17-8(15)13-7(12)14-9(16)18-11(4,5)6/h1-6H3,(H3,12,13,14,15,16)
InChIKey
VPWFNCFRPQFWGS-UHFFFAOYSA-N
Compound name
tert-butyl N-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

229
Patents

259.1532 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.16048 160.4
[M+Na]+ 282.14242 164.8
[M-H]- 258.14592 161.7
[M+NH4]+ 277.18702 177.2
[M+K]+ 298.11636 166.7
[M+H-H2O]+ 242.15046 154.9
[M+HCOO]- 304.15140 182.1
[M+CH3COO]- 318.16705 202.5
[M+Na-2H]- 280.12787 163.5
[M]+ 259.15265 162.0
[M]- 259.15375 162.0
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.