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]+ 170.15395 142.7
[M+Na]+ 192.13589 149.9
[M-H]- 168.13939 142.3
[M+NH4]+ 187.18049 160.9
[M+K]+ 208.10983 149.4
[M+H-H2O]+ 152.14393 132.1
[M+HCOO]- 214.14487 157.7
[M+CH3COO]- 228.16052 193.4
[M+Na-2H]- 190.12134 145.4
[M]+ 169.14612 138.2
[M]- 169.14722 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.