CID 642326

389874-15-1

Structural Information

Molecular Formula
C6H13N
SMILES
CC(C)(CN)C=C
InChI
InChI=1S/C6H13N/c1-4-6(2,3)5-7/h4H,1,5,7H2,2-3H3
InChIKey
QYINCSDHMJPJRV-UHFFFAOYSA-N
Compound name
2,2-dimethylbut-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

99.1048 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.11208 121.7
[M+Na]+ 122.09402 128.8
[M-H]- 98.097524 121.8
[M+NH4]+ 117.13862 144.7
[M+K]+ 138.06796 128.0
[M+H-H2O]+ 82.102060 117.9
[M+HCOO]- 144.10300 144.5
[M+CH3COO]- 158.11865 170.6
[M+Na-2H]- 120.07947 128.6
[M]+ 99.104251 119.9
[M]- 99.105349 119.9
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

No patent data available for this compound.