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]+ 224.125676 148.8
[M+Na]+ 246.107618 153.7
[M-H]- 222.111124 150.6
[M+NH4]+ 241.152223 157.5
[M+K]+ 262.081558 156.9
[M+H-H2O]+ 206.115660 135.0
[M+HCOO]- 268.116601 162.8
[M+CH3COO]- 282.132251 201.5
[M+Na-2H]- 244.093066 152.6
[M]+ 223.11785142 159.7
[M]- 223.11894858 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.