CID 6453656

Heptanenitrile, 2-amino-2-methyl-

Structural Information

Molecular Formula
C8H16N2
SMILES
CCCCCC(C)(C#N)N
InChI
InChI=1S/C8H16N2/c1-3-4-5-6-8(2,10)7-9/h3-6,10H2,1-2H3
InChIKey
RCJOBLVEKCLVPT-UHFFFAOYSA-N
Compound name
2-amino-2-methylheptanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

140.13135 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.13863 134.2
[M+Na]+ 163.12057 142.0
[M-H]- 139.12407 134.6
[M+NH4]+ 158.16517 153.5
[M+K]+ 179.09451 141.3
[M+H-H2O]+ 123.12861 123.2
[M+HCOO]- 185.12955 152.9
[M+CH3COO]- 199.14520 191.5
[M+Na-2H]- 161.10602 139.7
[M]+ 140.13080 129.0
[M]- 140.13190 129.0
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