CID 137944350

2260937-12-8

Structural Information

Molecular Formula
C11H15F2N3
SMILES
CC1=CC(=NC(=N1)C2(CCCC2)N)C(F)F
InChI
InChI=1S/C11H15F2N3/c1-7-6-8(9(12)13)16-10(15-7)11(14)4-2-3-5-11/h6,9H,2-5,14H2,1H3
InChIKey
QYCCEHWWVOGBTD-UHFFFAOYSA-N
Compound name
1-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]cyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1234 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.13068 148.1
[M+Na]+ 250.11262 155.8
[M-H]- 226.11612 149.2
[M+NH4]+ 245.15722 166.7
[M+K]+ 266.08656 152.3
[M+H-H2O]+ 210.12066 138.7
[M+HCOO]- 272.12160 166.2
[M+CH3COO]- 286.13725 191.2
[M+Na-2H]- 248.09807 150.0
[M]+ 227.12285 141.7
[M]- 227.12395 141.7
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.