CID 6366652

Urea, 1-(2-ethylidene-3-methylhexanoyl)-

Structural Information

Molecular Formula
C10H18N2O2
SMILES
CCCC(C)/C(=C\C)/C(=O)NC(=O)N
InChI
InChI=1S/C10H18N2O2/c1-4-6-7(3)8(5-2)9(13)12-10(11)14/h5,7H,4,6H2,1-3H3,(H3,11,12,13,14)/b8-5+
InChIKey
KSXJYGKGCRJJKP-VMPITWQZSA-N
Compound name
(2E)-N-carbamoyl-2-ethylidene-3-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.13683 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.144106 150.0
[M+Na]+ 221.126048 154.0
[M-H]- 197.129554 149.4
[M+NH4]+ 216.170653 168.3
[M+K]+ 237.099988 153.5
[M+H-H2O]+ 181.134090 144.2
[M+HCOO]- 243.135031 171.0
[M+CH3COO]- 257.150681 191.2
[M+Na-2H]- 219.111496 149.1
[M]+ 198.13628142 148.0
[M]- 198.13737858 148.0
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.