CID 66570468

4,4-difluoro-1-methylcyclohexan-1-amine

Structural Information

Molecular Formula
C7H13F2N
SMILES
CC1(CCC(CC1)(F)F)N
InChI
InChI=1S/C7H13F2N/c1-6(10)2-4-7(8,9)5-3-6/h2-5,10H2,1H3
InChIKey
HMMITIYMFHIYBL-UHFFFAOYSA-N
Compound name
4,4-difluoro-1-methylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

149.10161 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.10889 128.4
[M+Na]+ 172.09083 135.6
[M-H]- 148.09433 129.0
[M+NH4]+ 167.13543 153.0
[M+K]+ 188.06477 134.2
[M+H-H2O]+ 132.09887 123.0
[M+HCOO]- 194.09981 147.5
[M+CH3COO]- 208.11546 176.4
[M+Na-2H]- 170.07628 134.2
[M]+ 149.10106 120.1
[M]- 149.10216 120.1
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

patents stripe