CID 16770335

2-amino-2,2-dicyclopropylacetonitrile

Structural Information

Molecular Formula
C8H12N2
SMILES
C1CC1C(C#N)(C2CC2)N
InChI
InChI=1S/C8H12N2/c9-5-8(10,6-1-2-6)7-3-4-7/h6-7H,1-4,10H2
InChIKey
ZGBIWUWHJXWUNS-UHFFFAOYSA-N
Compound name
2-amino-2,2-dicyclopropylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

136.10005 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 132.5
[M+Na]+ 159.089268 148.4
[M-H]- 135.092774 142.0
[M+NH4]+ 154.133873 144.5
[M+K]+ 175.063208 141.8
[M+H-H2O]+ 119.097310 126.6
[M+HCOO]- 181.098251 152.6
[M+CH3COO]- 195.113901 200.0
[M+Na-2H]- 157.074716 140.2
[M]+ 136.09950142 132.7
[M]- 136.10059858 132.7
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