CID 167719821

(2,2-difluoropent-4-en-1-yl)(methyl)aminehydrochloride

Structural Information

Molecular Formula
C6H11F2N
SMILES
CNCC(CC=C)(F)F
InChI
InChI=1S/C6H11F2N/c1-3-4-6(7,8)5-9-2/h3,9H,1,4-5H2,2H3
InChIKey
QBJKWDRGIHOWBR-UHFFFAOYSA-N
Compound name
2,2-difluoro-N-methylpent-4-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.08595 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.09323 126.2
[M+Na]+ 158.07517 133.3
[M-H]- 134.07867 123.9
[M+NH4]+ 153.11977 147.8
[M+K]+ 174.04911 132.0
[M+H-H2O]+ 118.08321 120.2
[M+HCOO]- 180.08415 147.5
[M+CH3COO]- 194.09980 176.9
[M+Na-2H]- 156.06062 132.9
[M]+ 135.08540 123.0
[M]- 135.08650 123.0
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

No patent data available for this compound.