CID 86684610

1434054-30-4

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC1=NC(=CN1C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H17N3O2/c1-7-11-8(6-13(7)5)12-9(14)15-10(2,3)4/h6H,1-5H3,(H,12,14)
InChIKey
WAKMYFWZEZJYGK-UHFFFAOYSA-N
Compound name
tert-butyl N-(1,2-dimethylimidazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

211.13208 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 149.1
[M+Na]+ 234.121298 157.5
[M-H]- 210.124804 150.8
[M+NH4]+ 229.165903 167.5
[M+K]+ 250.095238 156.8
[M+H-H2O]+ 194.129340 142.5
[M+HCOO]- 256.130281 170.6
[M+CH3COO]- 270.145931 189.3
[M+Na-2H]- 232.106746 153.0
[M]+ 211.13153142 151.9
[M]- 211.13262858 151.9
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