CID 25200998

Monofluoromethylputrescine

Structural Information

Molecular Formula
C4H11FN2
SMILES
C(C(CN)CF)N
InChI
InChI=1S/C4H11FN2/c5-1-4(2-6)3-7/h4H,1-3,6-7H2
InChIKey
MLGYPSMVMFEFLH-UHFFFAOYSA-N
Compound name
2-(fluoromethyl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

106.09063 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.09791 121.2
[M+Na]+ 129.07985 127.3
[M-H]- 105.08335 119.2
[M+NH4]+ 124.12445 143.0
[M+K]+ 145.05379 126.8
[M+H-H2O]+ 89.087890 115.3
[M+HCOO]- 151.08883 144.3
[M+CH3COO]- 165.10448 173.0
[M+Na-2H]- 127.06530 125.6
[M]+ 106.09008 116.1
[M]- 106.09118 116.1
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.