CID 21765875

3-(dimethylamino)-2-methylprop-2-enenitrile

Structural Information

Molecular Formula
C6H10N2
SMILES
C/C(=C\N(C)C)/C#N
InChI
InChI=1S/C6H10N2/c1-6(4-7)5-8(2)3/h5H,1-3H3/b6-5+
InChIKey
HNUFCYBYFMHKEA-AATRIKPKSA-N
Compound name
(E)-3-(dimethylamino)-2-methylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

110.0844 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 123.6
[M+Na]+ 133.07362 132.1
[M-H]- 109.07712 125.9
[M+NH4]+ 128.11822 144.6
[M+K]+ 149.04756 132.7
[M+H-H2O]+ 93.081660 112.3
[M+HCOO]- 155.08260 144.6
[M+CH3COO]- 169.09825 188.9
[M+Na-2H]- 131.05907 128.8
[M]+ 110.08385 119.0
[M]- 110.08495 119.0
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