CID 111369

7-hydroxy-3,7-dimethyloctanenitrile

Structural Information

Molecular Formula
C10H19NO
SMILES
CC(CCCC(C)(C)O)CC#N
InChI
InChI=1S/C10H19NO/c1-9(6-8-11)5-4-7-10(2,3)12/h9,12H,4-7H2,1-3H3
InChIKey
UQHYGZPJERPFLI-UHFFFAOYSA-N
Compound name
7-hydroxy-3,7-dimethyloctanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

169.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 141.6
[M+Na]+ 192.135888 149.0
[M-H]- 168.139394 141.1
[M+NH4]+ 187.180493 159.8
[M+K]+ 208.109828 148.0
[M+H-H2O]+ 152.143930 130.9
[M+HCOO]- 214.144871 157.5
[M+CH3COO]- 228.160521 193.3
[M+Na-2H]- 190.121336 145.5
[M]+ 169.14612142 137.8
[M]- 169.14721858 137.8
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