CID 79777

2-hydroxy-2-propylvaleronitrile

Structural Information

Molecular Formula
C8H15NO
SMILES
CCCC(CCC)(C#N)O
InChI
InChI=1S/C8H15NO/c1-3-5-8(10,7-9)6-4-2/h10H,3-6H2,1-2H3
InChIKey
YYZBOCPIORDHRR-UHFFFAOYSA-N
Compound name
2-hydroxy-2-propylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.11537 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.122646 132.6
[M+Na]+ 164.104588 141.0
[M-H]- 140.108094 132.4
[M+NH4]+ 159.149193 151.9
[M+K]+ 180.078528 140.1
[M+H-H2O]+ 124.112630 122.2
[M+HCOO]- 186.113571 150.0
[M+CH3COO]- 200.129221 187.1
[M+Na-2H]- 162.090036 138.7
[M]+ 141.11482142 128.8
[M]- 141.11591858 128.8
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

patents stripe