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]+ 137.10733 129.4
[M+Na]+ 159.08927 140.4
[M-H]- 135.09277 133.1
[M+NH4]+ 154.13387 152.4
[M+K]+ 175.06321 137.1
[M+H-H2O]+ 119.09731 118.7
[M+HCOO]- 181.09825 150.4
[M+CH3COO]- 195.11390 188.8
[M+Na-2H]- 157.07472 133.9
[M]+ 136.09950 122.8
[M]- 136.10060 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