CID 137951951

2,2-difluoro-2-(1-methoxycyclohexyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H17F2NO
SMILES
COC1(CCCCC1)C(CN)(F)F
InChI
InChI=1S/C9H17F2NO/c1-13-8(9(10,11)7-12)5-3-2-4-6-8/h2-7,12H2,1H3
InChIKey
BPPQFYGRAUTQLK-UHFFFAOYSA-N
Compound name
2,2-difluoro-2-(1-methoxycyclohexyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.12782 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.13510 142.2
[M+Na]+ 216.11704 147.0
[M-H]- 192.12054 141.8
[M+NH4]+ 211.16164 162.8
[M+K]+ 232.09098 145.7
[M+H-H2O]+ 176.12508 135.7
[M+HCOO]- 238.12602 159.3
[M+CH3COO]- 252.14167 184.0
[M+Na-2H]- 214.10249 147.2
[M]+ 193.12727 134.9
[M]- 193.12837 134.9
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.