CID 558020

Tert-butyl n-(1h-imidazol-4-yl)carbamate

Structural Information

Molecular Formula
C8H13N3O2
SMILES
CC(C)(C)OC(=O)NC1=CN=CN1
InChI
InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-6-4-9-5-10-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKey
XJNNJHSBTRIYHA-UHFFFAOYSA-N
Compound name
tert-butyl N-(1H-imidazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

183.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.108046 141.2
[M+Na]+ 206.089988 148.2
[M-H]- 182.093494 141.1
[M+NH4]+ 201.134593 159.3
[M+K]+ 222.063928 147.0
[M+H-H2O]+ 166.098030 134.4
[M+HCOO]- 228.098971 161.9
[M+CH3COO]- 242.114621 178.3
[M+Na-2H]- 204.075436 147.0
[M]+ 183.10022142 140.6
[M]- 183.10131858 140.6
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