CID 177801677

Acetic acid, tert-butyl n-(1-carbamimidoylcyclopropyl)-n-methylcarbamate

Structural Information

Molecular Formula
C10H19N3O2
SMILES
CC(C)(C)OC(=O)N(C)C1(CC1)C(=N)N
InChI
InChI=1S/C10H19N3O2/c1-9(2,3)15-8(14)13(4)10(5-6-10)7(11)12/h5-6H2,1-4H3,(H3,11,12)
InChIKey
FACXMUBBIMVZMH-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-carbamimidoylcyclopropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.14772 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.154996 146.7
[M+Na]+ 236.136938 153.3
[M-H]- 212.140444 152.2
[M+NH4]+ 231.181543 162.2
[M+K]+ 252.110878 153.1
[M+H-H2O]+ 196.144980 142.2
[M+HCOO]- 258.145921 169.5
[M+CH3COO]- 272.161571 199.6
[M+Na-2H]- 234.122386 151.2
[M]+ 213.14717142 148.8
[M]- 213.14826858 148.8
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.