CID 6366651

102613-32-1

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]+ 199.144106 149.6
[M+Na]+ 221.126048 153.8
[M-H]- 197.129554 148.9
[M+NH4]+ 216.170653 168.0
[M+K]+ 237.099988 152.7
[M+H-H2O]+ 181.134090 143.7
[M+HCOO]- 243.135031 171.6
[M+CH3COO]- 257.150681 190.2
[M+Na-2H]- 219.111496 150.0
[M]+ 198.13628142 148.3
[M]- 198.13737858 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.