CID 287237

2-amino-3,3-dimethylcyclopent-1-ene-1-carbonitrile

Structural Information

Molecular Formula
C8H12N2
SMILES
CC1(CCC(=C1N)C#N)C
InChI
InChI=1S/C8H12N2/c1-8(2)4-3-6(5-9)7(8)10/h3-4,10H2,1-2H3
InChIKey
KHIAKCIMIJQSIO-UHFFFAOYSA-N
Compound name
2-amino-3,3-dimethylcyclopentene-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

136.10005 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.107326 129.4
[M+Na]+ 159.089268 140.4
[M-H]- 135.092774 133.1
[M+NH4]+ 154.133873 152.4
[M+K]+ 175.063208 137.1
[M+H-H2O]+ 119.097310 118.7
[M+HCOO]- 181.098251 150.4
[M+CH3COO]- 195.113901 188.8
[M+Na-2H]- 157.074716 133.9
[M]+ 136.09950142 122.8
[M]- 136.10059858 122.8
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