CID 6366651

1-(2-ethylideneheptanoyl)urea

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CCCCC/C(=C\C)/C(=O)NC(=O)N
InChI
InChI=1S/C10H18N2O2/c1-3-5-6-7-8(4-2)9(13)12-10(11)14/h4H,3,5-7H2,1-2H3,(H3,11,12,13,14)/b8-4+
InChIKey
GZXQVLMVKMXPRH-XBXARRHUSA-N
Compound name
(2E)-N-carbamoyl-2-ethylideneheptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.14411 149.6
[M+Na]+ 221.12605 153.8
[M-H]- 197.12955 148.9
[M+NH4]+ 216.17065 168.0
[M+K]+ 237.09999 152.7
[M+H-H2O]+ 181.13409 143.7
[M+HCOO]- 243.13503 171.6
[M+CH3COO]- 257.15068 190.2
[M+Na-2H]- 219.11150 150.0
[M]+ 198.13628 148.3
[M]- 198.13738 148.3
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

No patent data available for this compound.