CID 545436

66787-73-3

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(C)OC(=O)NC1=CN=CN1C
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-7-5-10-6-12(7)4/h5-6H,1-4H3,(H,11,13)
InChIKey
PEKVFQUSUDBNKI-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-methylimidazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

197.11642 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12370 144.9
[M+Na]+ 220.10564 152.8
[M-H]- 196.10914 146.4
[M+NH4]+ 215.15024 163.5
[M+K]+ 236.07958 152.3
[M+H-H2O]+ 180.11368 138.1
[M+HCOO]- 242.11462 166.7
[M+CH3COO]- 256.13027 185.0
[M+Na-2H]- 218.09109 150.0
[M]+ 197.11587 146.9
[M]- 197.11697 146.9
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