CID 573085

Tert-butyl n-[2-(2-amino-1h-imidazol-5-yl)ethyl]carbamate

Structural Information

Molecular Formula
C10H18N4O2
SMILES
CC(C)(C)OC(=O)NCCC1=CN=C(N1)N
InChI
InChI=1S/C10H18N4O2/c1-10(2,3)16-9(15)12-5-4-7-6-13-8(11)14-7/h6H,4-5H2,1-3H3,(H,12,15)(H3,11,13,14)
InChIKey
BWWJSWSVMLACIZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-amino-1H-imidazol-5-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.14297 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.15025 153.6
[M+Na]+ 249.13219 159.7
[M-H]- 225.13569 153.0
[M+NH4]+ 244.17679 169.6
[M+K]+ 265.10613 157.7
[M+H-H2O]+ 209.14023 146.3
[M+HCOO]- 271.14117 174.0
[M+CH3COO]- 285.15682 190.1
[M+Na-2H]- 247.11764 157.2
[M]+ 226.14242 152.3
[M]- 226.14352 152.3
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.