CID 3051544

3-(o-chlorophenyl)-3-pyrrolidinol hydrochloride

Structural Information

Molecular Formula
C10H12ClNO
SMILES
C1CNCC1(C2=CC=CC=C2Cl)O
InChI
InChI=1S/C10H12ClNO/c11-9-4-2-1-3-8(9)10(13)5-6-12-7-10/h1-4,12-13H,5-7H2
InChIKey
QFNYTRAXMSODBM-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

197.06075 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 141.5
[M+Na]+ 220.04997 149.5
[M-H]- 196.05347 144.0
[M+NH4]+ 215.09457 162.5
[M+K]+ 236.02391 144.0
[M+H-H2O]+ 180.05801 136.1
[M+HCOO]- 242.05895 156.4
[M+CH3COO]- 256.07460 153.7
[M+Na-2H]- 218.03542 146.0
[M]+ 197.06020 137.9
[M]- 197.06130 137.9
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