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

literature stripe

Patent stripe

patents stripe