CID 177801873

(1s,4r)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H15F2N
SMILES
CC1([C@@H]2CC[C@]1(C(C2)(F)F)N)C
InChI
InChI=1S/C9H15F2N/c1-7(2)6-3-4-8(7,12)9(10,11)5-6/h6H,3-5,12H2,1-2H3/t6-,8+/m1/s1
InChIKey
JYMSZGJWYCSLBQ-SVRRBLITSA-N
Compound name
(1S,4R)-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.11725 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.12453 133.4
[M+Na]+ 198.10647 143.6
[M-H]- 174.10997 134.2
[M+NH4]+ 193.15107 164.4
[M+K]+ 214.08041 140.2
[M+H-H2O]+ 158.11451 129.6
[M+HCOO]- 220.11545 153.0
[M+CH3COO]- 234.13110 182.7
[M+Na-2H]- 196.09192 138.5
[M]+ 175.11670 129.0
[M]- 175.11780 129.0
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.