CID 65716099

3-fluoro-4-[2-(propan-2-yl)pyrrolidin-1-yl]aniline dihydrochloride

Structural Information

Molecular Formula
C13H19FN2
SMILES
CC(C)C1CCCN1C2=C(C=C(C=C2)N)F
InChI
InChI=1S/C13H19FN2/c1-9(2)12-4-3-7-16(12)13-6-5-10(15)8-11(13)14/h5-6,8-9,12H,3-4,7,15H2,1-2H3
InChIKey
VLFPCUDGQAXHTO-UHFFFAOYSA-N
Compound name
3-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.15323 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16051 151.5
[M+Na]+ 245.14245 158.2
[M-H]- 221.14595 155.1
[M+NH4]+ 240.18705 170.0
[M+K]+ 261.11639 154.6
[M+H-H2O]+ 205.15049 143.4
[M+HCOO]- 267.15143 171.2
[M+CH3COO]- 281.16708 193.4
[M+Na-2H]- 243.12790 151.0
[M]+ 222.15268 146.4
[M]- 222.15378 146.4
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.