CID 63321471

Tert-butyl n-(2-carbamimidoylethyl)-n-methylcarbamate hydrochloride

Structural Information

Molecular Formula
C9H19N3O2
SMILES
CC(C)(C)OC(=O)N(C)CCC(=N)N
InChI
InChI=1S/C9H19N3O2/c1-9(2,3)14-8(13)12(4)6-5-7(10)11/h5-6H2,1-4H3,(H3,10,11)
InChIKey
IKRRHEPLPBZXKU-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-amino-3-iminopropyl)-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.14772 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.15500 148.6
[M+Na]+ 224.13694 152.9
[M-H]- 200.14044 149.8
[M+NH4]+ 219.18154 167.4
[M+K]+ 240.11088 154.1
[M+H-H2O]+ 184.14498 142.7
[M+HCOO]- 246.14592 171.7
[M+CH3COO]- 260.16157 196.1
[M+Na-2H]- 222.12239 151.1
[M]+ 201.14717 148.2
[M]- 201.14827 148.2
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

No patent data available for this compound.