CID 137949938

[2-(trifluoromethyl)spiro[3.3]heptan-2-yl]methanamine

Structural Information

Molecular Formula
C9H14F3N
SMILES
C1CC2(C1)CC(C2)(CN)C(F)(F)F
InChI
InChI=1S/C9H14F3N/c10-9(11,12)8(6-13)4-7(5-8)2-1-3-7/h1-6,13H2
InChIKey
BWYGGGSSRYJVFM-UHFFFAOYSA-N
Compound name
[2-(trifluoromethyl)spiro[3.3]heptan-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.10783 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11511 142.0
[M+Na]+ 216.09705 146.8
[M-H]- 192.10055 143.7
[M+NH4]+ 211.14165 151.6
[M+K]+ 232.07099 149.7
[M+H-H2O]+ 176.10509 128.2
[M+HCOO]- 238.10603 156.2
[M+CH3COO]- 252.12168 196.1
[M+Na-2H]- 214.08250 146.8
[M]+ 193.10728 151.1
[M]- 193.10838 151.1
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.