CID 155820013

1-[6-methoxy-6-(trifluoromethyl)spiro[3.3]heptan-2-yl]methanamine hydrochloride

Structural Information

Molecular Formula
C10H16F3NO
SMILES
COC1(CC2(C1)CC(C2)CN)C(F)(F)F
InChI
InChI=1S/C10H16F3NO/c1-15-9(10(11,12)13)5-8(6-9)2-7(3-8)4-14/h7H,2-6,14H2,1H3
InChIKey
XMLRXMLBLIEWBW-UHFFFAOYSA-N
Compound name
[2-methoxy-2-(trifluoromethyl)spiro[3.3]heptan-6-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.1184 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12568 148.8
[M+Na]+ 246.10762 153.7
[M-H]- 222.11112 150.6
[M+NH4]+ 241.15222 157.5
[M+K]+ 262.08156 156.9
[M+H-H2O]+ 206.11566 135.0
[M+HCOO]- 268.11660 162.8
[M+CH3COO]- 282.13225 201.5
[M+Na-2H]- 244.09307 152.6
[M]+ 223.11785 159.7
[M]- 223.11895 159.7
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.