CID 71463765

(3,3-difluorocyclopentyl)methanamine

Structural Information

Molecular Formula
C6H11F2N
SMILES
C1CC(CC1CN)(F)F
InChI
InChI=1S/C6H11F2N/c7-6(8)2-1-5(3-6)4-9/h5H,1-4,9H2
InChIKey
MBNJAGKPJGONBM-UHFFFAOYSA-N
Compound name
(3,3-difluorocyclopentyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

135.08595 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.09323 124.2
[M+Na]+ 158.07517 131.7
[M-H]- 134.07867 124.7
[M+NH4]+ 153.11977 149.2
[M+K]+ 174.04911 130.1
[M+H-H2O]+ 118.08321 118.2
[M+HCOO]- 180.08415 145.7
[M+CH3COO]- 194.09980 173.4
[M+Na-2H]- 156.06062 128.3
[M]+ 135.08540 117.2
[M]- 135.08650 117.2
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