CID 57249823

2,2-dimethylbut-3-ynenitrile

Structural Information

Molecular Formula
C6H7N
SMILES
CC(C)(C#C)C#N
InChI
InChI=1S/C6H7N/c1-4-6(2,3)5-7/h1H,2-3H3
InChIKey
LMTKJEFHIMVMCP-UHFFFAOYSA-N
Compound name
2,2-dimethylbut-3-ynenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

93.057846 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.065122 136.2
[M+Na]+ 116.04706 146.1
[M-H]- 92.050570 138.4
[M+NH4]+ 111.09167 151.9
[M+K]+ 132.02100 144.7
[M+H-H2O]+ 76.055106 123.4
[M+HCOO]- 138.05605 147.1
[M+CH3COO]- 152.07170 202.3
[M+Na-2H]- 114.03251 140.1
[M]+ 93.057297 128.3
[M]- 93.058395 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