CID 55265295

Chebi:197358

Structural Information

Molecular Formula
C7H11NO
SMILES
CCC/C=C/[C@@H](C#N)O
InChI
InChI=1S/C7H11NO/c1-2-3-4-5-7(9)6-8/h4-5,7,9H,2-3H2,1H3/b5-4+/t7-/m0/s1
InChIKey
SWBORZICEYIYCG-KPJROHGDSA-N
Compound name
(E,2S)-2-hydroxyhept-3-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 126.8
[M+Na]+ 148.073278 135.3
[M-H]- 124.076784 126.5
[M+NH4]+ 143.117883 146.4
[M+K]+ 164.047218 134.0
[M+H-H2O]+ 108.081320 116.1
[M+HCOO]- 170.082261 145.1
[M+CH3COO]- 184.097911 183.4
[M+Na-2H]- 146.058726 131.7
[M]+ 125.08351142 121.7
[M]- 125.08460858 121.7
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.