CID 56698928

Sulfuric acid bis(tert-butyl n-(1-carbamimidoylpyrrolidin-3-yl)carbamate) hydrate

Structural Information

Molecular Formula
C10H20N4O2
SMILES
CC(C)(C)OC(=O)NC1CCN(C1)C(=N)N
InChI
InChI=1S/C10H20N4O2/c1-10(2,3)16-9(15)13-7-4-5-14(6-7)8(11)12/h7H,4-6H2,1-3H3,(H3,11,12)(H,13,15)
InChIKey
RCGGLICOFABLHP-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-carbamimidoylpyrrolidin-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

228.15863 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16591 153.5
[M+Na]+ 251.14785 157.4
[M+NH4]+ 246.19245 158.3
[M+K]+ 267.12179 157.6
[M-H]- 227.15135 152.5
[M+Na-2H]- 249.13330 154.3
[M]+ 228.15808 152.9
[M]- 228.15918 152.9
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

patents stripe