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 154.3
[M+Na]+ 251.14785 157.9
[M-H]- 227.15135 155.7
[M+NH4]+ 246.19245 171.6
[M+K]+ 267.12179 157.4
[M+H-H2O]+ 211.15589 147.4
[M+HCOO]- 273.15683 174.7
[M+CH3COO]- 287.17248 195.2
[M+Na-2H]- 249.13330 155.7
[M]+ 228.15808 149.2
[M]- 228.15918 149.2
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