CID 115011297

3-(difluoromethyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C5H10F2N2
SMILES
C1CNCC1(C(F)F)N
InChI
InChI=1S/C5H10F2N2/c6-4(7)5(8)1-2-9-3-5/h4,9H,1-3,8H2
InChIKey
KBSGIOQDTRBZCD-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

136.0812 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.08848 125.3
[M+Na]+ 159.07042 131.6
[M-H]- 135.07392 122.8
[M+NH4]+ 154.11502 147.8
[M+K]+ 175.04436 129.8
[M+H-H2O]+ 119.07846 118.4
[M+HCOO]- 181.07940 143.4
[M+CH3COO]- 195.09505 170.1
[M+Na-2H]- 157.05587 128.8
[M]+ 136.08065 115.6
[M]- 136.08175 115.6
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