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
1
Annotation Hits

0
References

2
Patents

169.14667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.15395 141.6
[M+Na]+ 192.13589 149.0
[M-H]- 168.13939 141.1
[M+NH4]+ 187.18049 159.8
[M+K]+ 208.10983 148.0
[M+H-H2O]+ 152.14393 130.9
[M+HCOO]- 214.14487 157.5
[M+CH3COO]- 228.16052 193.3
[M+Na-2H]- 190.12134 145.5
[M]+ 169.14612 137.8
[M]- 169.14722 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