CID 2735661

3-chloro-4,4-dimethylpent-2-enenitrile

Structural Information

Molecular Formula
C7H10ClN
SMILES
CC(C)(C)C(=CC#N)Cl
InChI
InChI=1S/C7H10ClN/c1-7(2,3)6(8)4-5-9/h4H,1-3H3
InChIKey
KCVZJFYFJKNOFD-UHFFFAOYSA-N
Compound name
3-chloro-4,4-dimethylpent-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

143.05017 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05745 131.9
[M+Na]+ 166.03939 142.1
[M-H]- 142.04289 133.2
[M+NH4]+ 161.08399 152.6
[M+K]+ 182.01333 139.4
[M+H-H2O]+ 126.04743 122.5
[M+HCOO]- 188.04837 145.9
[M+CH3COO]- 202.06402 187.2
[M+Na-2H]- 164.02484 137.2
[M]+ 143.04962 128.3
[M]- 143.05072 128.3
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