CID 29767

Brn 1642827

Structural Information

Molecular Formula
C16H29F3N2
SMILES
CN(C)CCCN1CCC2(CCCC(C2)C(F)(F)F)CC1
InChI
InChI=1S/C16H29F3N2/c1-20(2)9-4-10-21-11-7-15(8-12-21)6-3-5-14(13-15)16(17,18)19/h14H,3-13H2,1-2H3
InChIKey
BJDREZAXPCVNLF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[10-(trifluoromethyl)-3-azaspiro[5.5]undecan-3-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.22827 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.23555 175.2
[M+Na]+ 329.21749 177.3
[M-H]- 305.22099 174.6
[M+NH4]+ 324.26209 191.0
[M+K]+ 345.19143 174.6
[M+H-H2O]+ 289.22553 164.7
[M+HCOO]- 351.22647 185.5
[M+CH3COO]- 365.24212 210.0
[M+Na-2H]- 327.20294 175.5
[M]+ 306.22772 164.7
[M]- 306.22882 164.7
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.