CID 51136348

(e)-3-hydroxy-2,4-dimethylhept-4-enamide

Structural Information

Molecular Formula
C9H17NO2
SMILES
CC/C=C(\C)/C(C(C)C(=O)N)O
InChI
InChI=1S/C9H17NO2/c1-4-5-6(2)8(11)7(3)9(10)12/h5,7-8,11H,4H2,1-3H3,(H2,10,12)/b6-5+
InChIKey
KYKBHRVKONYRBO-AATRIKPKSA-N
Compound name
(E)-3-hydroxy-2,4-dimethylhept-4-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

171.12593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.133206 142.8
[M+Na]+ 194.115148 147.2
[M-H]- 170.118654 140.9
[M+NH4]+ 189.159753 161.7
[M+K]+ 210.089088 146.5
[M+H-H2O]+ 154.123190 137.8
[M+HCOO]- 216.124131 161.3
[M+CH3COO]- 230.139781 182.8
[M+Na-2H]- 192.100596 141.7
[M]+ 171.12538142 140.1
[M]- 171.12647858 140.1
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

No patent data available for this compound.