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]+ 144.057446 131.9
[M+Na]+ 166.039388 142.1
[M-H]- 142.042894 133.2
[M+NH4]+ 161.083993 152.6
[M+K]+ 182.013328 139.4
[M+H-H2O]+ 126.047430 122.5
[M+HCOO]- 188.048371 145.9
[M+CH3COO]- 202.064021 187.2
[M+Na-2H]- 164.024836 137.2
[M]+ 143.04962142 128.3
[M]- 143.05071858 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