CID 92081

Pentanenitrile, 2-amino-4-methoxy-2,4-dimethyl-

Structural Information

Molecular Formula
C8H16N2O
SMILES
CC(C)(CC(C)(C#N)N)OC
InChI
InChI=1S/C8H16N2O/c1-7(2,11-4)5-8(3,10)6-9/h5,10H2,1-4H3
InChIKey
WWHLGOBUCOWPEM-UHFFFAOYSA-N
Compound name
2-amino-4-methoxy-2,4-dimethylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

156.12627 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.13355 139.4
[M+Na]+ 179.11549 147.3
[M-H]- 155.11899 140.0
[M+NH4]+ 174.16009 158.1
[M+K]+ 195.08943 147.7
[M+H-H2O]+ 139.12353 128.7
[M+HCOO]- 201.12447 156.8
[M+CH3COO]- 215.14012 193.6
[M+Na-2H]- 177.10094 145.3
[M]+ 156.12572 134.9
[M]- 156.12682 134.9
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