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]+ 126.09134 126.8
[M+Na]+ 148.07328 135.3
[M-H]- 124.07678 126.5
[M+NH4]+ 143.11788 146.4
[M+K]+ 164.04722 134.0
[M+H-H2O]+ 108.08132 116.1
[M+HCOO]- 170.08226 145.1
[M+CH3COO]- 184.09791 183.4
[M+Na-2H]- 146.05873 131.7
[M]+ 125.08351 121.7
[M]- 125.08461 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.