CID 155893283

1,1-difluoro-n-methylspiro[2.3]hexan-5-amine hydrochloride, mixture of diastereomers

Structural Information

Molecular Formula
C7H11F2N
SMILES
CNC1CC2(C1)CC2(F)F
InChI
InChI=1S/C7H11F2N/c1-10-5-2-6(3-5)4-7(6,8)9/h5,10H,2-4H2,1H3
InChIKey
OHNQULJJFCOLIJ-UHFFFAOYSA-N
Compound name
2,2-difluoro-N-methylspiro[2.3]hexan-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.08595 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.09323 126.3
[M+Na]+ 170.07517 135.5
[M-H]- 146.07867 131.3
[M+NH4]+ 165.11977 140.8
[M+K]+ 186.04911 136.9
[M+H-H2O]+ 130.08321 117.0
[M+HCOO]- 192.08415 146.6
[M+CH3COO]- 206.09980 184.4
[M+Na-2H]- 168.06062 134.1
[M]+ 147.08540 133.5
[M]- 147.08650 133.5
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.