CID 57321556

1279818-06-2

Structural Information

Molecular Formula
C9H15N3O2
SMILES
CC(C)(C)OC(=O)NCC1=CN=CN1
InChI
InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)11-5-7-4-10-6-12-7/h4,6H,5H2,1-3H3,(H,10,12)(H,11,13)
InChIKey
LPSSRLZXGGVUQS-UHFFFAOYSA-N
Compound name
tert-butyl N-(1H-imidazol-5-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

197.11642 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.123696 145.8
[M+Na]+ 220.105638 152.3
[M-H]- 196.109144 145.4
[M+NH4]+ 215.150243 163.3
[M+K]+ 236.079578 150.9
[M+H-H2O]+ 180.113680 138.8
[M+HCOO]- 242.114621 166.1
[M+CH3COO]- 256.130271 181.3
[M+Na-2H]- 218.091086 151.0
[M]+ 197.11587142 145.5
[M]- 197.11696858 145.5
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