CID 15451257

Methyl n-[2-(1h-imidazol-5-yl)ethyl]carbamate

Structural Information

Molecular Formula
C7H11N3O2
SMILES
COC(=O)NCCC1=CN=CN1
InChI
InChI=1S/C7H11N3O2/c1-12-7(11)9-3-2-6-4-8-5-10-6/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11)
InChIKey
JKJOKNBLUZSJIB-UHFFFAOYSA-N
Compound name
methyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

169.08513 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09241 135.6
[M+Na]+ 192.07435 142.4
[M-H]- 168.07785 135.1
[M+NH4]+ 187.11895 154.0
[M+K]+ 208.04829 141.1
[M+H-H2O]+ 152.08239 128.1
[M+HCOO]- 214.08333 158.1
[M+CH3COO]- 228.09898 175.6
[M+Na-2H]- 190.05980 141.1
[M]+ 169.08458 135.1
[M]- 169.08568 135.1
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