CID 44786

2-hydroxy-4,6,6-trimethylheptanenitrile

Structural Information

Molecular Formula
C10H19NO
SMILES
CC(CC(C#N)O)CC(C)(C)C
InChI
InChI=1S/C10H19NO/c1-8(5-9(12)7-11)6-10(2,3)4/h8-9,12H,5-6H2,1-4H3
InChIKey
ZNJCKHVAGVOTRE-UHFFFAOYSA-N
Compound name
2-hydroxy-4,6,6-trimethylheptanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 142.7
[M+Na]+ 192.135888 149.9
[M-H]- 168.139394 142.3
[M+NH4]+ 187.180493 160.9
[M+K]+ 208.109828 149.4
[M+H-H2O]+ 152.143930 132.1
[M+HCOO]- 214.144871 157.7
[M+CH3COO]- 228.160521 193.4
[M+Na-2H]- 190.121336 145.4
[M]+ 169.14612142 138.2
[M]- 169.14721858 138.2
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.