CID 154853013

2445791-59-1

Structural Information

Molecular Formula
C9H17F2N
SMILES
CNCC1CCC(CC1)C(F)F
InChI
InChI=1S/C9H17F2N/c1-12-6-7-2-4-8(5-3-7)9(10)11/h7-9,12H,2-6H2,1H3
InChIKey
ULZWPQQXHYBECY-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethyl)cyclohexyl]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.1329 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.14018 139.3
[M+Na]+ 200.12212 143.4
[M-H]- 176.12562 139.2
[M+NH4]+ 195.16672 158.9
[M+K]+ 216.09606 141.8
[M+H-H2O]+ 160.13016 131.7
[M+HCOO]- 222.13110 157.3
[M+CH3COO]- 236.14675 184.7
[M+Na-2H]- 198.10757 141.5
[M]+ 177.13235 131.4
[M]- 177.13345 131.4
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.