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]+ 176.124526 133.4
[M+Na]+ 198.106468 143.6
[M-H]- 174.109974 134.2
[M+NH4]+ 193.151073 164.4
[M+K]+ 214.080408 140.2
[M+H-H2O]+ 158.114510 129.6
[M+HCOO]- 220.115451 153.0
[M+CH3COO]- 234.131101 182.7
[M+Na-2H]- 196.091916 138.5
[M]+ 175.11670142 129.0
[M]- 175.11779858 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.