CID 12784366

58124-84-8

Structural Information

Molecular Formula
C6H9N3O
SMILES
CCNC(=O)N1C=CN=C1
InChI
InChI=1S/C6H9N3O/c1-2-8-6(10)9-4-3-7-5-9/h3-5H,2H2,1H3,(H,8,10)
InChIKey
WLNIMHJTXBDWNO-UHFFFAOYSA-N
Compound name
N-ethylimidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

139.07455 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 127.8
[M+Na]+ 162.063768 135.6
[M-H]- 138.067274 128.9
[M+NH4]+ 157.108373 148.2
[M+K]+ 178.037708 135.0
[M+H-H2O]+ 122.071810 120.5
[M+HCOO]- 184.072751 152.0
[M+CH3COO]- 198.088401 173.1
[M+Na-2H]- 160.049216 134.3
[M]+ 139.07400142 127.5
[M]- 139.07509858 127.5
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