CID 127008715

N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine

Structural Information

Molecular Formula
C10H17F2N
SMILES
C1CC1CNC2CCC(CC2)(F)F
InChI
InChI=1S/C10H17F2N/c11-10(12)5-3-9(4-6-10)13-7-8-1-2-8/h8-9,13H,1-7H2
InChIKey
JCRRGCUAAVNQAV-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethyl)-4,4-difluorocyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.1329 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.14018 136.6
[M+Na]+ 212.12212 143.2
[M-H]- 188.12562 140.9
[M+NH4]+ 207.16672 152.8
[M+K]+ 228.09606 141.1
[M+H-H2O]+ 172.13016 129.0
[M+HCOO]- 234.13110 155.6
[M+CH3COO]- 248.14675 188.1
[M+Na-2H]- 210.10757 141.6
[M]+ 189.13235 131.7
[M]- 189.13345 131.7
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.